data_BA4LIMN2O9_publ
_publcif_datablock.id '{06f03603-9f5c-4fd8-a738-5bece9cfc543}'

# publcif _publ_body_element loop start
loop_
_publ_body_element
_publ_body_title
_publ_body_contents

 section 
;
Introduction
; 
;

;
 section 
;
Experimental
; 
;

;
 subsection 
;
Synthesis and crystallization
; 
;

;
 subsection 
;
Refinement
;
;
Crystal data, data collection and structure refinement details are summarized
in Table 1.
;

 section 
;
Results and discussion
; 
;

;
# publcif _publ_body_element loop end

_pd_block_id
  2014-10-13T15:02|BA4LIMN2O9|Tyutyunnik|Overall

_audit_creation_method  "from EXP file using GSAS2CIF"
_audit_creation_date                   2014-10-13T15:02
_audit_author_name                     Tyutyunnik
_audit_update_record
;
2014-10-13T15:02  Initial CIF as created by GSAS2CIF

2014-11-06 # Formatted by publCIF
;

#=============================================================================
# this information describes the project, paper etc. for the CIF             #
# Acta Cryst. Section C papers and editorial correspondence is generated     #
# from the information in this section                                       #
#                                                                            #
#   (from)   CIF submission form for Rietveld refinements (Acta Cryst. C)    #
#                                                 Version 14 December 1998   #
#=============================================================================
# 1. SUBMISSION DETAILS

_publ_contact_author_name            ?   # Name of author for correspondence
_publ_contact_author_address             # Address of author for correspondence
?
_publ_contact_author_email           ?	 # tyutyunnik@ihim.uran.ru
_publ_contact_author_fax             ?
_publ_contact_author_phone           ?

_publ_contact_letter
?

_publ_requested_journal              ?
_publ_requested_coeditor_name        ?
_publ_requested_category             ?   # Acta C: one of CI/CM/CO/FI/FM/FO

#==============================================================================

# 2. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_data_validation_number      ?

_journal_date_recd_electronic        ?
_journal_date_to_coeditor            ?
_journal_date_from_coeditor          ?
_journal_date_accepted               ?
_journal_date_printers_first         ?
_journal_date_printers_final         ?
_journal_date_proofs_out             ?
_journal_date_proofs_in              ?
_journal_coeditor_name               ?
_journal_coeditor_code               ?
_journal_coeditor_notes
?
_journal_techeditor_code             ?
_journal_techeditor_notes
?
_journal_coden_ASTM                  ?
_journal_name_full                   ?
_journal_year                        ?
_journal_volume                      ?
_journal_issue                       ?
_journal_page_first                  ?
_journal_page_last                   ?
_journal_paper_category              ?
_journal_suppl_publ_number           ?
_journal_suppl_publ_pages            ?

#==============================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title
;
Title (type here to add)
;

_publ_section_title_footnote
.

# The loop structure below should contain the names and addresses of all
# authors, in the required order of publication. Repeat as necessary.

loop_
_publ_author_name
_publ_author_address
_publ_author_footnote
_publ_author_email
'?'
;
?
;
.
.
'Tarakina, Nadezda'
;
Röntgen-Research Centre for Complex Material Systems
Universität Würzburg
Am Hubland
Würzburg
-
Germany
;
.
;
nadezda.tarakina@physik.uni-wuerzburg.de
;



#==============================================================================

# 4. TEXT

_publ_section_synopsis
.
_publ_section_abstract
;
(type here to add)
;

_publ_section_references
;
?
;

_publ_section_figure_captions
;

;

_publ_section_acknowledgements
;
(type here to add)
;


#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details
?
_pd_proc_ls_special_details
?

# The following items are used to identify the programs used.
_computing_molecular_graphics     'ATOMS V6.3.4 ((c) 2008 by Shape Software)'
_computing_publication_material   ?

_refine_ls_weighting_scheme       ?
_refine_ls_weighting_details      ?
_refine_ls_hydrogen_treatment     ?
_refine_ls_extinction_method      ?
_refine_ls_extinction_coef        ?
_refine_ls_number_constraints     ?

_refine_ls_restrained_S_all       ?
_refine_ls_restrained_S_obs       ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate                ?
_pd_prep_pressure                 ?
_pd_prep_temperature              1030

_pd_char_colour                   deep_green   # use ICDD colour descriptions

data_BA4LIMN2O9_overall
_publcif_datablock.id '{3d609d67-965d-47f8-b5a0-63e712a9f75e}'

_refine_ls_shift/su_max                0.03
_refine_ls_shift/su_mean               0.00
_computing_structure_refinement        GSAS
_refine_ls_number_parameters           111
_refine_ls_goodness_of_fit_all         1.69
_refine_ls_number_restraints           0

# Overall powder R-factors

_pd_proc_ls_prof_R_factor              0.0169
_pd_proc_ls_prof_wR_factor             0.0232
_refine_ls_matrix_type                 full

# pointers to the phase blocks
loop_   _pd_phase_block_id
      2014-10-13T15:02|BA4LIMN2O9_phase1|Tyutyunnik||
      2014-10-13T15:02|BA4LIMN2O9_phase2|Tyutyunnik||
# pointers to the diffraction patterns
loop_   _pd_block_diffractogram_id
      2014-10-13T15:02|BA4LIMN2O9_H_01|Tyutyunnik|STADI-P
      2014-10-13T15:02|BA4LIMN2O9_H_03|Tyutyunnik|D7A

# Information for phase 1
data_BA4LIMN2O9_phase_1
_publcif_datablock.id '{65de1918-19a2-41ac-b3e9-99066f70d6fe}'
loop_
_publcif_info_datablock.id
_publcif_info_datablock.publ_exptl
_publcif_info_datablock.publ_geom
_publcif_info_datablock.structure
'{65de1918-19a2-41ac-b3e9-99066f70d6fe}' y y y

_diffrn_radiation_probe                x-ray
_diffrn_radiation_polarisn_ratio       0.8
_diffrn_radiation_wavelength           1.54056
_diffrn_radiation_type                 'Cu Ka~1~'
_pd_proc_ls_prof_R_factor              0.0156
_pd_proc_ls_prof_wR_factor             0.0216
_pd_proc_ls_prof_wR_expected           0.0134
_refine_ls_R_Fsqd_factor               0.05370
_exptl_crystal_colour                  deep_green
_diffrn_measurement_device_type   "transmission diffractometer Stadi-P (STOE)"

_pd_block_id
  2014-10-13T15:02|BA4LIMN2O9_phase1|Tyutyunnik||

# Histograms for phase 1
loop_   _pd_block_diffractogram_id
  2014-10-13T15:02|BA4LIMN2O9_H_01|Tyutyunnik|STADI-P
  2014-10-13T15:02|BA4LIMN2O9_H_03|Tyutyunnik|D7A

#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology      ?

_chemical_name_systematic         ?
_chemical_name_common             "Barium Lithium Manganese Oxide"
_chemical_formula_moiety          ?
_chemical_formula_structural      "Ba4 Li Mn2 O9"
_chemical_formula_analytical      ?
_chemical_melting_point           ?
_chemical_compound_source         ?       # for minerals and
                                          # natural products
_symmetry_space_group_name_Hall   "-P 3 2"

_exptl_crystal_F_000               ?
_exptl_crystal_density_diffrn      5.222
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      "not measured"

_cell_measurement_temperature     298(2)

_cell_special_details
?

_geom_special_details             ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution
"GSAS (A.C. Larson and R.B. Von Dreele, 2004), EXPGUI (Toby, B.H., 2001)"

#==============================================================================

# 8. Phase information from GSAS




_pd_phase_name                         Ba4LiMn2O9
_cell_length_a                         5.662736(24)
_cell_length_b                         5.662736
_cell_length_c                         16.74668(12)
_cell_angle_alpha                      90.0
_cell_angle_beta                       90.0
_cell_angle_gamma                      120.0
_cell_volume                           465.063(5)
_symmetry_cell_setting                 trigonal
_symmetry_space_group_name_H-M         "P -3 m 1"
loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz
       1 +x,+y,+z 
       2 -y,x-y,+z 
       3 y-x,-x,+z 
       4 y-x,+y,+z 
       5 -y,-x,+z 
       6 +x,x-y,+z 
      -1 -x,-y,-z 
      -2 +y,y-x,-z 
      -3 x-y,+x,-z 
      -4 x-y,-y,-z 
      -5 +y,+x,-z 
      -6 -x,y-x,-z 

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
      _atom_site_type_symbol
      _atom_site_label
      _atom_site_fract_x
      _atom_site_fract_y
      _atom_site_fract_z
      _atom_site_occupancy
      _atom_site_thermal_displace_type
      _atom_site_U_iso_or_equiv
      _atom_site_symmetry_multiplicity
Ba
Ba1     0.0          0.0          0.0          1.0        Uiso   0.0378(13)    1
Ba
Ba2     0.33333      0.66666      0.57252(19)  1.0        Uiso   0.0274(9)     2
Ba
Ba3     0.66666      0.33333      0.69631(17)  1.0        Uiso   0.0220(10)    2
Ba
Ba4     0.33333      0.66666      0.82632(14)  1.0        Uiso   0.0186(10)    2
Mn
Mn1     0.0          0.0          0.3512(4)    0.762(11)  Uiso   0.0254(26)    2
Li
Li1     0.0          0.0          0.3512(4)    0.238(11)  Uiso   0.0254(26)    2
Mn
Mn2     0.0          0.0          0.5          0.691(16)  Uiso   0.063(6)      1
Li
Li2     0.0          0.0          0.5          0.309(16)  Uiso   0.063(6)      1
Mn
Mn3     0.66666      0.33333      0.9081(5)    0.795(12)  Uiso   0.0360(26)    2
Li
Li3     0.66666      0.33333      0.9081(5)    0.205(12)  Uiso   0.0360(26)    2
Li
Li4     0.0          0.0          0.189(4)     0.957(12)  Uiso   0.130(23)     2
Mn
Mn4     0.0          0.0          0.189(4)     0.043(12)  Uiso   0.130(23)     2
O 
O1      0.1789(8)    0.8211(8)    0.1311(4)    0.857(12)  Uiso   0.0170(8)     6
O 
O2      0.8443(8)    0.6886(17)   0.5673(6)    0.714(8)   Uiso   0.0170(8)     6
O 
O3      0.1507(7)    0.3014(14)   0.7087(4)    1.0        Uiso   0.0170(8)     6
O 
O4      0.66666      0.33333      0.0060(11)   0.595(20)  Uiso   0.0170(8)     2

loop_ _atom_type_symbol
      _atom_type_number_in_cell
                   Ba  7.0        
                   Mn  3.89       
                   Li  3.11       
                   O  16.613      
 
# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum                  "Ba7 Li3.11 Mn3.89 O16.61"
_chemical_formula_weight               1462.42
_cell_formula_units_Z                  1

# MOLECULAR GEOMETRY

loop_
      _geom_bond_atom_site_label_1
      _geom_bond_atom_site_label_2
      _geom_bond_distance
      _geom_bond_site_symmetry_1
      _geom_bond_site_symmetry_2
      _geom_bond_publ_flag
  Ba1       Ba4             4.3759(16)  .      1_444  n
  Ba1       Ba4             4.3759(16)  .      1_544  n
  Ba1       Ba4             4.3759(16)  .      1_554  n
  Ba1       Ba4             4.3759(16)  .     -1_556  n
  Ba1       Ba4             4.3759(16)  .     -1_566  n
  Ba1       Ba4             4.3759(16)  .     -1_666  n
  Ba1       Mn3               3.613(4)  .      1_444  n
  Ba1       Mn3               3.613(4)  .      1_454  n
  Ba1       Mn3               3.613(4)  .      1_554  n
  Ba1       Mn3               3.613(4)  .     -1_556  n
  Ba1       Mn3               3.613(4)  .     -1_656  n
  Ba1       Mn3               3.613(4)  .     -1_666  n
  Ba1       Li3               3.613(4)  .      1_444  n
  Ba1       Li3               3.613(4)  .      1_454  n
  Ba1       Li3               3.613(4)  .      1_554  n
  Ba1       Li3               3.613(4)  .     -1_556  n
  Ba1       Li3               3.613(4)  .     -1_656  n
  Ba1       Li3               3.613(4)  .     -1_666  n
  Ba1       Li4                3.17(6)  .      1_555  n
  Ba1       Li4                3.17(6)  .     -1_555  n
  Ba1       Mn4                3.17(6)  .      1_555  n
  Ba1       Mn4                3.17(6)  .     -1_555  n
  Ba1       O1                2.811(7)  .      1_545  n
  Ba1       O1                2.811(7)  .      2_665  n
  Ba1       O1                2.811(7)  .      3_455  n
  Ba1       O1                2.811(7)  .     -1_565  n
  Ba1       O1                2.811(7)  .     -2_445  n
  Ba1       O1                2.811(7)  .     -3_655  n
  Ba1       O4               3.2709(5)  .      1_445  n
  Ba1       O4               3.2709(5)  .      1_455  n
  Ba1       O4               3.2709(5)  .      1_555  n
  Ba1       O4               3.2709(5)  .     -1_555  n
  Ba1       O4               3.2709(5)  .     -1_655  n
  Ba1       O4               3.2709(5)  .     -1_665  n
  Ba2       Ba2               4.073(4)  .     -1_566  n
  Ba2       Ba2               4.073(4)  .     -1_666  n
  Ba2       Ba2               4.073(4)  .     -1_676  n
  Ba2       Ba3             3.8712(25)  .      1_455  n
  Ba2       Ba3             3.8712(25)  .      1_555  n
  Ba2       Ba3             3.8712(25)  .      1_565  n
  Ba2       Ba3               4.502(4)  .     -1_666  n
  Ba2       Ba4             4.2502(31)  .      1_555  n
  Ba2       Mn1             3.5099(27)  .     -1_556  n
  Ba2       Mn1             3.5099(27)  .     -1_566  n
  Ba2       Mn1             3.5099(27)  .     -1_666  n
  Ba2       Li1             3.5099(27)  .     -1_556  n
  Ba2       Li1             3.5099(27)  .     -1_566  n
  Ba2       Li1             3.5099(27)  .     -1_666  n
  Ba2       Mn2             3.4876(11)  .      1_555  n
  Ba2       Mn2             3.4877(11)  .      1_565  n
  Ba2       Mn2             3.4877(11)  .      1_665  n
  Ba2       Li2             3.4876(11)  .      1_555  n
  Ba2       Li2             3.4877(11)  .      1_565  n
  Ba2       Li2             3.4877(11)  .      1_665  n
  Ba2       O2               2.8347(4)  .      1_455  n
  Ba2       O2               2.8348(4)  .      1_555  n
  Ba2       O2               2.8347(4)  .      2_655  n
  Ba2       O2               2.8348(4)  .      2_665  n
  Ba2       O2               2.8348(4)  .      3_565  n
  Ba2       O2               2.8347(4)  .      3_675  n
  Ba2       O2               2.919(10)  .     -1_666  n
  Ba2       O2               2.919(10)  .     -2_566  n
  Ba2       O2               2.919(10)  .     -3_556  n
  Ba2       O3                2.900(7)  .      1_555  n
  Ba2       O3                2.900(7)  .      2_665  n
  Ba2       O3                2.900(7)  .      3_565  n
  Ba3       Ba2             3.8712(25)  .      1_545  n
  Ba3       Ba2             3.8712(25)  .      1_555  n
  Ba3       Ba2             3.8712(25)  .      1_655  n
  Ba3       Ba2               4.502(4)  .     -1_666  n
  Ba3       Ba4             3.9280(21)  .      1_545  n
  Ba3       Ba4             3.9280(21)  .      1_555  n
  Ba3       Ba4             3.9280(21)  .      1_655  n
  Ba3       Mn1             3.3649(17)  .     -1_556  n
  Ba3       Mn1             3.3649(17)  .     -1_656  n
  Ba3       Mn1             3.3649(17)  .     -1_666  n
  Ba3       Li1             3.3649(17)  .     -1_556  n
  Ba3       Li1             3.3649(17)  .     -1_656  n
  Ba3       Li1             3.3649(17)  .     -1_666  n
  Ba3       Mn3               3.547(8)  .      1_555  n
  Ba3       Li3               3.547(8)  .      1_555  n
  Ba3       Li4              3.789(30)  .     -1_556  n
  Ba3       Li4              3.789(30)  .     -1_656  n
  Ba3       Li4              3.789(30)  .     -1_666  n
  Ba3       Mn4              3.789(30)  .     -1_556  n
  Ba3       Mn4              3.789(30)  .     -1_656  n
  Ba3       Mn4              3.789(30)  .     -1_666  n
  Ba3       O1                3.263(7)  .     -1_666  n
  Ba3       O1                3.263(7)  .     -2_556  n
  Ba3       O1                3.263(7)  .     -3_656  n
  Ba3       O2                2.775(9)  .      1_555  n
  Ba3       O2                2.775(9)  .      2_655  n
  Ba3       O2                2.775(9)  .      3_665  n
  Ba3       O3               2.8433(6)  .      1_555  n
  Ba3       O3               2.8433(6)  .      1_655  n
  Ba3       O3               2.8433(6)  .      2_655  n
  Ba3       O3               2.8433(6)  .      2_665  n
  Ba3       O3               2.8432(6)  .      3_555  n
  Ba3       O3               2.8434(6)  .      3_665  n
  Ba4       Ba1             4.3759(16)  .      1_556  n
  Ba4       Ba1             4.3759(16)  .      1_566  n
  Ba4       Ba1             4.3759(16)  .      1_666  n
  Ba4       Ba2             4.2502(31)  .      1_555  n
  Ba4       Ba3             3.9280(21)  .      1_455  n
  Ba4       Ba3             3.9280(21)  .      1_555  n
  Ba4       Ba3             3.9280(21)  .      1_565  n
  Ba4       Mn3             3.5447(33)  .      1_455  n
  Ba4       Mn3             3.5447(33)  .      1_555  n
  Ba4       Mn3             3.5447(33)  .      1_565  n
  Ba4       Li3             3.5447(33)  .      1_455  n
  Ba4       Li3             3.5447(33)  .      1_555  n
  Ba4       Li3             3.5447(33)  .      1_565  n
  Ba4       Li4               3.280(5)  .     -1_556  n
  Ba4       Li4               3.280(5)  .     -1_566  n
  Ba4       Li4               3.280(5)  .     -1_666  n
  Ba4       Mn4               3.280(5)  .     -1_556  n
  Ba4       Mn4               3.280(5)  .     -1_566  n
  Ba4       Mn4               3.280(5)  .     -1_666  n
  Ba4       O1              2.9223(17)  .     -1_566  n
  Ba4       O1              2.9223(17)  .     -1_676  n
  Ba4       O1              2.9223(17)  .     -2_456  n
  Ba4       O1              2.9223(17)  .     -2_556  n
  Ba4       O1              2.9222(17)  .     -3_656  n
  Ba4       O1              2.9223(17)  .     -3_666  n
  Ba4       O3                2.662(7)  .      1_555  n
  Ba4       O3                2.662(7)  .      2_665  n
  Ba4       O3                2.662(7)  .      3_565  n
  Ba4       O4               2.809(19)  .     -1_666  n
  Mn1       Ba2             3.5099(27)  .     -1_556  n
  Mn1       Ba2             3.5099(27)  .     -1_566  n
  Mn1       Ba2             3.5099(27)  .     -1_666  n
  Mn1       Ba3             3.3649(17)  .     -1_556  n
  Mn1       Ba3             3.3649(17)  .     -1_656  n
  Mn1       Ba3             3.3649(17)  .     -1_666  n
  Mn1       Mn2               2.491(6)  .      1_555  n
  Mn1       Li2               2.491(6)  .      1_555  n
  Mn1       Li4                2.71(6)  .      1_555  n
  Mn1       Mn4                2.71(6)  .      1_555  n
  Mn1       O2               2.047(10)  .     -1_666  n
  Mn1       O2               2.047(10)  .     -2_456  n
  Mn1       O2               2.047(10)  .     -3_546  n
  Mn1       O3                1.787(8)  .     -1_556  n
  Mn1       O3                1.787(8)  .     -2_556  n
  Mn1       O3                1.787(8)  .     -3_556  n
  Li1       Ba2             3.5099(27)  .     -1_556  n
  Li1       Ba2             3.5099(27)  .     -1_566  n
  Li1       Ba2             3.5099(27)  .     -1_666  n
  Li1       Ba3             3.3649(17)  .     -1_556  n
  Li1       Ba3             3.3649(17)  .     -1_656  n
  Li1       Ba3             3.3649(17)  .     -1_666  n
  Li1       Mn2               2.491(6)  .      1_555  n
  Li1       Li2               2.491(6)  .      1_555  n
  Li1       Li4                2.71(6)  .      1_555  n
  Li1       Mn4                2.71(6)  .      1_555  n
  Li1       O2               2.047(10)  .     -1_666  n
  Li1       O2               2.047(10)  .     -2_456  n
  Li1       O2               2.047(10)  .     -3_546  n
  Li1       O3                1.787(8)  .     -1_556  n
  Li1       O3                1.787(8)  .     -2_556  n
  Li1       O3                1.787(8)  .     -3_556  n
  Mn2       Ba2             3.4877(11)  .      1_445  n
  Mn2       Ba2             3.4877(11)  .      1_545  n
  Mn2       Ba2             3.4876(11)  .      1_555  n
  Mn2       Ba2             3.4876(11)  .     -1_556  n
  Mn2       Ba2             3.4877(11)  .     -1_566  n
  Mn2       Ba2             3.4877(11)  .     -1_666  n
  Mn2       Mn1               2.491(6)  .      1_555  n
  Mn2       Mn1               2.491(6)  .     -1_556  n
  Mn2       Li1               2.491(6)  .      1_555  n
  Mn2       Li1               2.491(6)  .     -1_556  n
  Mn2       O2                1.898(8)  .      1_445  n
  Mn2       O2                1.898(8)  .      2_655  n
  Mn2       O2                1.898(8)  .      3_565  n
  Mn2       O2                1.898(8)  .     -1_666  n
  Mn2       O2                1.898(8)  .     -2_456  n
  Mn2       O2                1.898(8)  .     -3_546  n
  Li2       Ba2             3.4877(11)  .      1_445  n
  Li2       Ba2             3.4877(11)  .      1_545  n
  Li2       Ba2             3.4876(11)  .      1_555  n
  Li2       Ba2             3.4876(11)  .     -1_556  n
  Li2       Ba2             3.4877(11)  .     -1_566  n
  Li2       Ba2             3.4877(11)  .     -1_666  n
  Li2       Mn1               2.491(6)  .      1_555  n
  Li2       Mn1               2.491(6)  .     -1_556  n
  Li2       Li1               2.491(6)  .      1_555  n
  Li2       Li1               2.491(6)  .     -1_556  n
  Li2       O2                1.898(8)  .      1_445  n
  Li2       O2                1.898(8)  .      2_655  n
  Li2       O2                1.898(8)  .      3_565  n
  Li2       O2                1.898(8)  .     -1_666  n
  Li2       O2                1.898(8)  .     -2_456  n
  Li2       O2                1.898(8)  .     -3_546  n
  Mn3       Ba1               3.613(4)  .      1_556  n
  Mn3       Ba1               3.613(4)  .      1_656  n
  Mn3       Ba1               3.613(4)  .      1_666  n
  Mn3       Ba3               3.547(8)  .      1_555  n
  Mn3       Ba4             3.5447(33)  .      1_545  n
  Mn3       Ba4             3.5447(33)  .      1_555  n
  Mn3       Ba4             3.5447(33)  .      1_655  n
  Mn3       O1                1.651(8)  .     -1_666  n
  Mn3       O1                1.651(8)  .     -2_556  n
  Mn3       O1                1.651(8)  .     -3_656  n
  Mn3       O4               1.639(19)  .      1_556  n
  Li3       Ba1               3.613(4)  .      1_556  n
  Li3       Ba1               3.613(4)  .      1_656  n
  Li3       Ba1               3.613(4)  .      1_666  n
  Li3       Ba3               3.547(8)  .      1_555  n
  Li3       Ba4             3.5447(33)  .      1_545  n
  Li3       Ba4             3.5447(33)  .      1_555  n
  Li3       Ba4             3.5447(33)  .      1_655  n
  Li3       O1                1.651(8)  .     -1_666  n
  Li3       O1                1.651(8)  .     -2_556  n
  Li3       O1                1.651(8)  .     -3_656  n
  Li3       O4               1.639(19)  .      1_556  n
  Li4       Ba1                3.17(6)  .      1_555  n
  Li4       Ba3              3.789(30)  .     -1_556  n
  Li4       Ba3              3.789(30)  .     -1_656  n
  Li4       Ba3              3.789(30)  .     -1_666  n
  Li4       Ba4               3.280(5)  .     -1_556  n
  Li4       Ba4               3.280(5)  .     -1_566  n
  Li4       Ba4               3.280(5)  .     -1_666  n
  Li4       Mn1                2.71(6)  .      1_555  n
  Li4       Li1                2.71(6)  .      1_555  n
  Li4       O1               2.008(30)  .      1_545  n
  Li4       O1               2.008(30)  .      2_665  n
  Li4       O1               2.008(30)  .      3_455  n
  Li4       O3                 2.26(4)  .     -1_556  n
  Li4       O3                 2.26(4)  .     -2_556  n
  Li4       O3                 2.26(4)  .     -3_556  n
  Mn4       Ba1                3.17(6)  .      1_555  n
  Mn4       Ba3              3.789(30)  .     -1_556  n
  Mn4       Ba3              3.789(30)  .     -1_656  n
  Mn4       Ba3              3.789(30)  .     -1_666  n
  Mn4       Ba4               3.280(5)  .     -1_556  n
  Mn4       Ba4               3.280(5)  .     -1_566  n
  Mn4       Ba4               3.280(5)  .     -1_666  n
  Mn4       Mn1                2.71(6)  .      1_555  n
  Mn4       Li1                2.71(6)  .      1_555  n
  Mn4       O1               2.008(30)  .      1_545  n
  Mn4       O1               2.008(30)  .      2_665  n
  Mn4       O1               2.008(30)  .      3_455  n
  Mn4       O3                 2.26(4)  .     -1_556  n
  Mn4       O3                 2.26(4)  .     -2_556  n
  Mn4       O3                 2.26(4)  .     -3_556  n
  O1        Ba1               2.811(7)  .      1_565  n
  O1        Ba3               3.263(7)  .     -1_666  n
  O1        Ba4             2.9223(17)  .     -1_566  n
  O1        Ba4             2.9223(17)  .     -1_676  n
  O1        Mn3               1.651(8)  .     -1_666  n
  O1        Li3               1.651(8)  .     -1_666  n
  O1        Li4              2.008(30)  .      1_565  n
  O1        Mn4              2.008(30)  .      1_565  n
  O2        Ba2              2.8348(4)  .      1_555  n
  O2        Ba2              2.8347(4)  .      1_655  n
  O2        Ba2              2.919(10)  .     -1_666  n
  O2        Ba3               2.775(9)  .      1_555  n
  O2        Mn1              2.047(10)  .     -1_666  n
  O2        Li1              2.047(10)  .     -1_666  n
  O2        Mn2               1.898(8)  .      1_665  n
  O2        Li2               1.898(8)  .      1_665  n
  O3        Ba2               2.900(7)  .      1_555  n
  O3        Ba3              2.8433(6)  .      1_455  n
  O3        Ba3              2.8433(6)  .      1_555  n
  O3        Ba4               2.662(7)  .      1_555  n
  O3        Mn1               1.787(8)  .     -1_556  n
  O3        Li1               1.787(8)  .     -1_556  n
  O3        Li4                2.26(4)  .     -1_556  n
  O3        Mn4                2.26(4)  .     -1_556  n
  O4        Ba1              3.2709(5)  .      1_555  n
  O4        Ba1              3.2709(5)  .      1_655  n
  O4        Ba1              3.2709(5)  .      1_665  n
  O4        Ba4              2.809(19)  .     -1_666  n
  O4        Mn3              1.639(19)  .      1_554  n
  O4        Li3              1.639(19)  .      1_554  n

loop_
      _geom_angle_atom_site_label_1
      _geom_angle_atom_site_label_2
      _geom_angle_atom_site_label_3
      _geom_angle
      _geom_angle_site_symmetry_1
      _geom_angle_site_symmetry_2
      _geom_angle_site_symmetry_3
      _geom_angle_publ_flag
  Ba4       Ba1       Ba4             80.636(35)      1_444  .      1_544  n
  Ba4       Ba1       Ba4             80.636(35)      1_444  .      1_554  n
  Ba4       Ba1       Ba4             99.364(35)      1_444  .     -1_556  n
  Ba4       Ba1       Ba4             99.364(35)      1_444  .     -1_566  n
  Ba4       Ba1       Ba4                  180.0      1_444  .     -1_666  n
  Ba4       Ba1       Li3               51.61(7)      1_444  .      1_444  n
  Ba4       Ba1       Li3               51.61(7)      1_444  .      1_454  n
  Ba4       Ba1       Li3             113.14(14)      1_444  .      1_554  n
  Ba4       Ba1       Li3              66.86(14)      1_444  .     -1_556  n
  Ba4       Ba1       Li3              128.39(7)      1_444  .     -1_656  n
  Ba4       Ba1       Li3              128.39(7)      1_444  .     -1_666  n
  Ba4       Ba1       Li4            131.658(23)      1_444  .      1_555  n
  Ba4       Ba1       Li4             48.342(23)      1_444  .     -1_555  n
  Ba4       Ba1       Mn4            131.658(23)      1_444  .      1_555  n
  Ba4       Ba1       Mn4             48.342(23)      1_444  .     -1_555  n
  Ba4       Ba1       O1             138.802(32)      1_444  .      1_545  n
  Ba4       Ba1       O1             138.802(32)      1_444  .      2_665  n
  Ba4       Ba1       O1               93.02(16)      1_444  .      3_455  n
  Ba4       Ba1       O1              41.198(32)      1_444  .     -1_565  n
  Ba4       Ba1       O1              41.198(32)      1_444  .     -2_445  n
  Ba4       Ba1       O1               86.98(16)      1_444  .     -3_655  n
  Ba4       Ba1       Ba4             80.636(35)      1_544  .      1_554  n
  Ba4       Ba1       Ba4             99.364(35)      1_544  .     -1_556  n
  Ba4       Ba1       Ba4                  180.0      1_544  .     -1_566  n
  Ba4       Ba1       Ba4             99.364(35)      1_544  .     -1_666  n
  Ba4       Ba1       Li3               51.61(7)      1_544  .      1_444  n
  Ba4       Ba1       Li3             113.14(14)      1_544  .      1_454  n
  Ba4       Ba1       Li3               51.61(7)      1_544  .      1_554  n
  Ba4       Ba1       Li3              128.39(7)      1_544  .     -1_556  n
  Ba4       Ba1       Li3              66.86(14)      1_544  .     -1_656  n
  Ba4       Ba1       Li3              128.39(7)      1_544  .     -1_666  n
  Ba4       Ba1       Li4            131.658(23)      1_544  .      1_555  n
  Ba4       Ba1       Li4             48.342(23)      1_544  .     -1_555  n
  Ba4       Ba1       Mn4            131.658(23)      1_544  .      1_555  n
  Ba4       Ba1       Mn4             48.342(23)      1_544  .     -1_555  n
  Ba4       Ba1       O1               93.02(16)      1_544  .      1_545  n
  Ba4       Ba1       O1             138.803(32)      1_544  .      2_665  n
  Ba4       Ba1       O1             138.802(32)      1_544  .      3_455  n
  Ba4       Ba1       O1               86.98(16)      1_544  .     -1_565  n
  Ba4       Ba1       O1              41.197(32)      1_544  .     -2_445  n
  Ba4       Ba1       O1              41.198(32)      1_544  .     -3_655  n
  Ba4       Ba1       Ba4                  180.0      1_554  .     -1_556  n
  Ba4       Ba1       Ba4             99.364(35)      1_554  .     -1_566  n
  Ba4       Ba1       Ba4             99.364(35)      1_554  .     -1_666  n
  Ba4       Ba1       Li3             113.14(14)      1_554  .      1_444  n
  Ba4       Ba1       Li3               51.61(7)      1_554  .      1_454  n
  Ba4       Ba1       Li3               51.61(7)      1_554  .      1_554  n
  Ba4       Ba1       Li3              128.39(7)      1_554  .     -1_556  n
  Ba4       Ba1       Li3              128.39(7)      1_554  .     -1_656  n
  Ba4       Ba1       Li3              66.86(14)      1_554  .     -1_666  n
  Ba4       Ba1       Li4            131.658(23)      1_554  .      1_555  n
  Ba4       Ba1       Li4             48.342(23)      1_554  .     -1_555  n
  Ba4       Ba1       Mn4            131.658(23)      1_554  .      1_555  n
  Ba4       Ba1       Mn4             48.342(23)      1_554  .     -1_555  n
  Ba4       Ba1       O1             138.802(32)      1_554  .      1_545  n
  Ba4       Ba1       O1               93.02(16)      1_554  .      2_665  n
  Ba4       Ba1       O1             138.803(32)      1_554  .      3_455  n
  Ba4       Ba1       O1              41.198(32)      1_554  .     -1_565  n
  Ba4       Ba1       O1               86.98(16)      1_554  .     -2_445  n
  Ba4       Ba1       O1              41.197(32)      1_554  .     -3_655  n
  Ba4       Ba1       Ba4             80.636(35)     -1_556  .     -1_566  n
  Ba4       Ba1       Ba4             80.636(35)     -1_556  .     -1_666  n
  Ba4       Ba1       Li3              66.86(14)     -1_556  .      1_444  n
  Ba4       Ba1       Li3              128.39(7)     -1_556  .      1_454  n
  Ba4       Ba1       Li3              128.39(7)     -1_556  .      1_554  n
  Ba4       Ba1       Li3               51.61(7)     -1_556  .     -1_556  n
  Ba4       Ba1       Li3               51.61(7)     -1_556  .     -1_656  n
  Ba4       Ba1       Li3             113.14(14)     -1_556  .     -1_666  n
  Ba4       Ba1       Li4             48.342(23)     -1_556  .      1_555  n
  Ba4       Ba1       Li4            131.658(23)     -1_556  .     -1_555  n
  Ba4       Ba1       Mn4             48.342(23)     -1_556  .      1_555  n
  Ba4       Ba1       Mn4            131.658(23)     -1_556  .     -1_555  n
  Ba4       Ba1       O1              41.198(32)     -1_556  .      1_545  n
  Ba4       Ba1       O1               86.98(16)     -1_556  .      2_665  n
  Ba4       Ba1       O1              41.197(32)     -1_556  .      3_455  n
  Ba4       Ba1       O1             138.802(32)     -1_556  .     -1_565  n
  Ba4       Ba1       O1               93.02(16)     -1_556  .     -2_445  n
  Ba4       Ba1       O1             138.803(32)     -1_556  .     -3_655  n
  Ba4       Ba1       Ba4             80.636(35)     -1_566  .     -1_666  n
  Ba4       Ba1       Li3              128.39(7)     -1_566  .      1_444  n
  Ba4       Ba1       Li3              66.86(14)     -1_566  .      1_454  n
  Ba4       Ba1       Li3              128.39(7)     -1_566  .      1_554  n
  Ba4       Ba1       Li3               51.61(7)     -1_566  .     -1_556  n
  Ba4       Ba1       Li3             113.14(14)     -1_566  .     -1_656  n
  Ba4       Ba1       Li3               51.61(7)     -1_566  .     -1_666  n
  Ba4       Ba1       Li4             48.342(23)     -1_566  .      1_555  n
  Ba4       Ba1       Li4            131.658(23)     -1_566  .     -1_555  n
  Ba4       Ba1       Mn4             48.342(23)     -1_566  .      1_555  n
  Ba4       Ba1       Mn4            131.658(23)     -1_566  .     -1_555  n
  Ba4       Ba1       O1               86.98(16)     -1_566  .      1_545  n
  Ba4       Ba1       O1              41.197(32)     -1_566  .      2_665  n
  Ba4       Ba1       O1              41.198(32)     -1_566  .      3_455  n
  Ba4       Ba1       O1               93.02(16)     -1_566  .     -1_565  n
  Ba4       Ba1       O1             138.803(32)     -1_566  .     -2_445  n
  Ba4       Ba1       O1             138.802(32)     -1_566  .     -3_655  n
  Ba4       Ba1       Li3              128.39(7)     -1_666  .      1_444  n
  Ba4       Ba1       Li3              128.39(7)     -1_666  .      1_454  n
  Ba4       Ba1       Li3              66.86(14)     -1_666  .      1_554  n
  Ba4       Ba1       Li3             113.14(14)     -1_666  .     -1_556  n
  Ba4       Ba1       Li3               51.61(7)     -1_666  .     -1_656  n
  Ba4       Ba1       Li3               51.61(7)     -1_666  .     -1_666  n
  Ba4       Ba1       Li4             48.342(23)     -1_666  .      1_555  n
  Ba4       Ba1       Li4            131.658(23)     -1_666  .     -1_555  n
  Ba4       Ba1       Mn4             48.342(23)     -1_666  .      1_555  n
  Ba4       Ba1       Mn4            131.658(23)     -1_666  .     -1_555  n
  Ba4       Ba1       O1              41.198(32)     -1_666  .      1_545  n
  Ba4       Ba1       O1              41.198(32)     -1_666  .      2_665  n
  Ba4       Ba1       O1               86.98(16)     -1_666  .      3_455  n
  Ba4       Ba1       O1             138.802(32)     -1_666  .     -1_565  n
  Ba4       Ba1       O1             138.802(32)     -1_666  .     -2_445  n
  Ba4       Ba1       O1               93.02(16)     -1_666  .     -3_655  n
  Li3       Ba1       Li3             103.18(15)      1_444  .      1_454  n
  Li3       Ba1       Li3             103.18(15)      1_444  .      1_554  n
  Li3       Ba1       Li3              76.82(15)      1_444  .     -1_556  n
  Li3       Ba1       Li3              76.82(15)      1_444  .     -1_656  n
  Li3       Ba1       Li3                  180.0      1_444  .     -1_666  n
  Li3       Ba1       Li4             115.21(13)      1_444  .      1_555  n
  Li3       Ba1       Li4              64.79(13)      1_444  .     -1_555  n
  Li3       Ba1       Mn4             115.21(13)      1_444  .      1_555  n
  Li3       Ba1       Mn4              64.79(13)      1_444  .     -1_555  n
  Li3       Ba1       O1               92.88(16)      1_444  .      1_545  n
  Li3       Ba1       O1              153.84(18)      1_444  .      2_665  n
  Li3       Ba1       O1               92.88(16)      1_444  .      3_455  n
  Li3       Ba1       O1               87.12(16)      1_444  .     -1_565  n
  Li3       Ba1       O1               26.16(18)      1_444  .     -2_445  n
  Li3       Ba1       O1               87.12(16)      1_444  .     -3_655  n
  Li3       Ba1       Li3             103.18(15)      1_454  .      1_554  n
  Li3       Ba1       Li3              76.82(15)      1_454  .     -1_556  n
  Li3       Ba1       Li3                  180.0      1_454  .     -1_656  n
  Li3       Ba1       Li3              76.82(15)      1_454  .     -1_666  n
  Li3       Ba1       Li4             115.21(13)      1_454  .      1_555  n
  Li3       Ba1       Li4              64.79(13)      1_454  .     -1_555  n
  Li3       Ba1       Mn4             115.21(13)      1_454  .      1_555  n
  Li3       Ba1       Mn4              64.79(13)      1_454  .     -1_555  n
  Li3       Ba1       O1              153.84(18)      1_454  .      1_545  n
  Li3       Ba1       O1               92.88(16)      1_454  .      2_665  n
  Li3       Ba1       O1               92.88(16)      1_454  .      3_455  n
  Li3       Ba1       O1               26.16(18)      1_454  .     -1_565  n
  Li3       Ba1       O1               87.12(16)      1_454  .     -2_445  n
  Li3       Ba1       O1               87.12(16)      1_454  .     -3_655  n
  Li3       Ba1       Li3                  180.0      1_554  .     -1_556  n
  Li3       Ba1       Li3              76.82(15)      1_554  .     -1_656  n
  Li3       Ba1       Li3              76.82(15)      1_554  .     -1_666  n
  Li3       Ba1       Li4             115.21(13)      1_554  .      1_555  n
  Li3       Ba1       Li4              64.79(13)      1_554  .     -1_555  n
  Li3       Ba1       Mn4             115.21(13)      1_554  .      1_555  n
  Li3       Ba1       Mn4              64.79(13)      1_554  .     -1_555  n
  Li3       Ba1       O1               92.88(16)      1_554  .      1_545  n
  Li3       Ba1       O1               92.88(16)      1_554  .      2_665  n
  Li3       Ba1       O1              153.84(18)      1_554  .      3_455  n
  Li3       Ba1       O1               87.12(16)      1_554  .     -1_565  n
  Li3       Ba1       O1               87.12(16)      1_554  .     -2_445  n
  Li3       Ba1       O1               26.16(18)      1_554  .     -3_655  n
  Li3       Ba1       Li3             103.18(15)     -1_556  .     -1_656  n
  Li3       Ba1       Li3             103.18(15)     -1_556  .     -1_666  n
  Li3       Ba1       Li4              64.79(13)     -1_556  .      1_555  n
  Li3       Ba1       Li4             115.21(13)     -1_556  .     -1_555  n
  Li3       Ba1       Mn4              64.79(13)     -1_556  .      1_555  n
  Li3       Ba1       Mn4             115.21(13)     -1_556  .     -1_555  n
  Li3       Ba1       O1               87.12(16)     -1_556  .      1_545  n
  Li3       Ba1       O1               87.12(16)     -1_556  .      2_665  n
  Li3       Ba1       O1               26.16(18)     -1_556  .      3_455  n
  Li3       Ba1       O1               92.88(16)     -1_556  .     -1_565  n
  Li3       Ba1       O1               92.88(16)     -1_556  .     -2_445  n
  Li3       Ba1       O1              153.84(18)     -1_556  .     -3_655  n
  Li3       Ba1       Li3             103.18(15)     -1_656  .     -1_666  n
  Li3       Ba1       Li4              64.79(13)     -1_656  .      1_555  n
  Li3       Ba1       Li4             115.21(13)     -1_656  .     -1_555  n
  Li3       Ba1       Mn4              64.79(13)     -1_656  .      1_555  n
  Li3       Ba1       Mn4             115.21(13)     -1_656  .     -1_555  n
  Li3       Ba1       O1               26.16(18)     -1_656  .      1_545  n
  Li3       Ba1       O1               87.12(16)     -1_656  .      2_665  n
  Li3       Ba1       O1               87.12(16)     -1_656  .      3_455  n
  Li3       Ba1       O1              153.84(18)     -1_656  .     -1_565  n
  Li3       Ba1       O1               92.88(16)     -1_656  .     -2_445  n
  Li3       Ba1       O1               92.88(16)     -1_656  .     -3_655  n
  Li3       Ba1       Li4              64.79(13)     -1_666  .      1_555  n
  Li3       Ba1       Li4             115.21(13)     -1_666  .     -1_555  n
  Li3       Ba1       Mn4              64.79(13)     -1_666  .      1_555  n
  Li3       Ba1       Mn4             115.21(13)     -1_666  .     -1_555  n
  Li3       Ba1       O1               87.12(16)     -1_666  .      1_545  n
  Li3       Ba1       O1               26.16(18)     -1_666  .      2_665  n
  Li3       Ba1       O1               87.12(16)     -1_666  .      3_455  n
  Li3       Ba1       O1               92.88(16)     -1_666  .     -1_565  n
  Li3       Ba1       O1              153.84(18)     -1_666  .     -2_445  n
  Li3       Ba1       O1               92.88(16)     -1_666  .     -3_655  n
  Li4       Ba1       Li4                  180.0      1_555  .     -1_555  n
  Li4       Ba1       Mn4                    0.0      1_555  .      1_555  n
  Li4       Ba1       Mn4                  180.0      1_555  .     -1_555  n
  Li4       Ba1       O1               38.64(15)      1_555  .      1_545  n
  Li4       Ba1       O1               38.64(15)      1_555  .      2_665  n
  Li4       Ba1       O1               38.64(15)      1_555  .      3_455  n
  Li4       Ba1       O1              141.36(15)      1_555  .     -1_565  n
  Li4       Ba1       O1              141.36(15)      1_555  .     -2_445  n
  Li4       Ba1       O1              141.36(15)      1_555  .     -3_655  n
  Li4       Ba1       Mn4                  180.0     -1_555  .      1_555  n
  Li4       Ba1       Mn4                    0.0     -1_555  .     -1_555  n
  Li4       Ba1       O1              141.36(15)     -1_555  .      1_545  n
  Li4       Ba1       O1              141.36(15)     -1_555  .      2_665  n
  Li4       Ba1       O1              141.36(15)     -1_555  .      3_455  n
  Li4       Ba1       O1               38.64(15)     -1_555  .     -1_565  n
  Li4       Ba1       O1               38.64(15)     -1_555  .     -2_445  n
  Li4       Ba1       O1               38.64(15)     -1_555  .     -3_655  n
  Mn4       Ba1       Mn4                  180.0      1_555  .     -1_555  n
  Mn4       Ba1       O1               38.64(15)      1_555  .      1_545  n
  Mn4       Ba1       O1               38.64(15)      1_555  .      2_665  n
  Mn4       Ba1       O1               38.64(15)      1_555  .      3_455  n
  Mn4       Ba1       O1              141.36(15)      1_555  .     -1_565  n
  Mn4       Ba1       O1              141.36(15)      1_555  .     -2_445  n
  Mn4       Ba1       O1              141.36(15)      1_555  .     -3_655  n
  Mn4       Ba1       O1              141.36(15)     -1_555  .      1_545  n
  Mn4       Ba1       O1              141.36(15)     -1_555  .      2_665  n
  Mn4       Ba1       O1              141.36(15)     -1_555  .      3_455  n
  Mn4       Ba1       O1               38.64(15)     -1_555  .     -1_565  n
  Mn4       Ba1       O1               38.64(15)     -1_555  .     -2_445  n
  Mn4       Ba1       O1               38.64(15)     -1_555  .     -3_655  n
  O1        Ba1       O1               65.47(25)      1_545  .      2_665  n
  O1        Ba1       O1               65.47(25)      1_545  .      3_455  n
  O1        Ba1       O1                   180.0      1_545  .     -1_565  n
  O1        Ba1       O1              114.53(25)      1_545  .     -2_445  n
  O1        Ba1       O1              114.53(25)      1_545  .     -3_655  n
  O1        Ba1       O1               65.47(25)      2_665  .      3_455  n
  O1        Ba1       O1              114.53(25)      2_665  .     -1_565  n
  O1        Ba1       O1                   180.0      2_665  .     -2_445  n
  O1        Ba1       O1              114.53(25)      2_665  .     -3_655  n
  O1        Ba1       O1              114.53(25)      3_455  .     -1_565  n
  O1        Ba1       O1              114.53(25)      3_455  .     -2_445  n
  O1        Ba1       O1                   180.0      3_455  .     -3_655  n
  O1        Ba1       O1               65.47(25)     -1_565  .     -2_445  n
  O1        Ba1       O1               65.47(25)     -1_565  .     -3_655  n
  O1        Ba1       O1               65.47(25)     -2_445  .     -3_655  n
  Ba2       Ba2       Ba2              88.08(11)     -1_566  .     -1_666  n
  Ba2       Ba2       Ba2              88.08(11)     -1_566  .     -1_676  n
  Ba2       Ba2       Ba3               68.99(4)     -1_566  .      1_455  n
  Ba2       Ba2       Ba3            131.172(13)     -1_566  .      1_555  n
  Ba2       Ba2       Ba3            131.170(13)     -1_566  .      1_565  n
  Ba2       Ba2       Ba4              126.61(7)     -1_566  .      1_555  n
  Ba2       Ba2       Mn1               80.97(7)     -1_566  .     -1_556  n
  Ba2       Ba2       Mn1               80.97(7)     -1_566  .     -1_566  n
  Ba2       Ba2       Mn1             164.72(17)     -1_566  .     -1_666  n
  Ba2       Ba2       Li1               80.97(7)     -1_566  .     -1_556  n
  Ba2       Ba2       Li1               80.97(7)     -1_566  .     -1_566  n
  Ba2       Ba2       Li1             164.72(17)     -1_566  .     -1_666  n
  Ba2       Ba2       Mn2             54.275(26)     -1_566  .      1_555  n
  Ba2       Ba2       Mn2             54.274(26)     -1_566  .      1_565  n
  Ba2       Ba2       Mn2             123.01(12)     -1_566  .      1_665  n
  Ba2       Ba2       Li2             54.275(26)     -1_566  .      1_555  n
  Ba2       Ba2       Li2             54.274(26)     -1_566  .      1_565  n
  Ba2       Ba2       Li2             123.01(12)     -1_566  .      1_665  n
  Ba2       Ba2       O2               45.78(19)     -1_566  .      1_455  n
  Ba2       Ba2       O2              133.73(20)     -1_566  .      1_555  n
  Ba2       Ba2       O2               87.21(17)     -1_566  .      2_655  n
  Ba2       Ba2       O2               87.21(17)     -1_566  .      2_665  n
  Ba2       Ba2       O2               45.78(19)     -1_566  .      3_565  n
  Ba2       Ba2       O2              133.73(20)     -1_566  .      3_675  n
  Ba2       Ba2       Ba2              88.08(11)     -1_666  .     -1_676  n
  Ba2       Ba2       Ba3            131.173(13)     -1_666  .      1_455  n
  Ba2       Ba2       Ba3               68.99(4)     -1_666  .      1_555  n
  Ba2       Ba2       Ba3            131.171(13)     -1_666  .      1_565  n
  Ba2       Ba2       Ba4              126.61(7)     -1_666  .      1_555  n
  Ba2       Ba2       Mn1               80.97(7)     -1_666  .     -1_556  n
  Ba2       Ba2       Mn1             164.72(17)     -1_666  .     -1_566  n
  Ba2       Ba2       Mn1               80.97(7)     -1_666  .     -1_666  n
  Ba2       Ba2       Li1               80.97(7)     -1_666  .     -1_556  n
  Ba2       Ba2       Li1             164.72(17)     -1_666  .     -1_566  n
  Ba2       Ba2       Li1               80.97(7)     -1_666  .     -1_666  n
  Ba2       Ba2       Mn2             54.275(26)     -1_666  .      1_555  n
  Ba2       Ba2       Mn2             123.01(12)     -1_666  .      1_565  n
  Ba2       Ba2       Mn2             54.274(26)     -1_666  .      1_665  n
  Ba2       Ba2       Li2             54.275(26)     -1_666  .      1_555  n
  Ba2       Ba2       Li2             123.01(12)     -1_666  .      1_565  n
  Ba2       Ba2       Li2             54.274(26)     -1_666  .      1_665  n
  Ba2       Ba2       O2              133.73(20)     -1_666  .      1_455  n
  Ba2       Ba2       O2               45.78(19)     -1_666  .      1_555  n
  Ba2       Ba2       O2               45.78(19)     -1_666  .      2_655  n
  Ba2       Ba2       O2              133.73(20)     -1_666  .      2_665  n
  Ba2       Ba2       O2               87.21(17)     -1_666  .      3_565  n
  Ba2       Ba2       O2               87.21(17)     -1_666  .      3_675  n
  Ba2       Ba2       Ba3            131.171(13)     -1_676  .      1_455  n
  Ba2       Ba2       Ba3            131.171(13)     -1_676  .      1_555  n
  Ba2       Ba2       Ba3               68.99(4)     -1_676  .      1_565  n
  Ba2       Ba2       Ba4              126.61(7)     -1_676  .      1_555  n
  Ba2       Ba2       Mn1             164.72(17)     -1_676  .     -1_556  n
  Ba2       Ba2       Mn1               80.97(7)     -1_676  .     -1_566  n
  Ba2       Ba2       Mn1               80.97(7)     -1_676  .     -1_666  n
  Ba2       Ba2       Li1             164.72(17)     -1_676  .     -1_556  n
  Ba2       Ba2       Li1               80.97(7)     -1_676  .     -1_566  n
  Ba2       Ba2       Li1               80.97(7)     -1_676  .     -1_666  n
  Ba2       Ba2       Mn2             123.01(12)     -1_676  .      1_555  n
  Ba2       Ba2       Mn2             54.274(26)     -1_676  .      1_565  n
  Ba2       Ba2       Mn2             54.274(26)     -1_676  .      1_665  n
  Ba2       Ba2       Li2             123.01(12)     -1_676  .      1_555  n
  Ba2       Ba2       Li2             54.274(26)     -1_676  .      1_565  n
  Ba2       Ba2       Li2             54.274(26)     -1_676  .      1_665  n
  Ba2       Ba2       O2               87.21(17)     -1_676  .      1_455  n
  Ba2       Ba2       O2               87.21(17)     -1_676  .      1_555  n
  Ba2       Ba2       O2              133.73(20)     -1_676  .      2_655  n
  Ba2       Ba2       O2               45.78(19)     -1_676  .      2_665  n
  Ba2       Ba2       O2              133.73(20)     -1_676  .      3_565  n
  Ba2       Ba2       O2               45.78(19)     -1_676  .      3_675  n
  Ba3       Ba2       Ba3               94.01(8)      1_455  .      1_555  n
  Ba3       Ba2       Ba3               94.01(8)      1_455  .      1_565  n
  Ba3       Ba2       Ba4               57.62(6)      1_455  .      1_555  n
  Ba3       Ba2       Mn1               53.97(5)      1_455  .     -1_556  n
  Ba3       Ba2       Mn1               53.97(5)      1_455  .     -1_566  n
  Ba3       Ba2       Mn1             126.29(15)      1_455  .     -1_666  n
  Ba3       Ba2       Li1               53.97(5)      1_455  .     -1_556  n
  Ba3       Ba2       Li1               53.97(5)      1_455  .     -1_566  n
  Ba3       Ba2       Li1             126.29(15)      1_455  .     -1_666  n
  Ba3       Ba2       Mn2             77.915(21)      1_455  .      1_555  n
  Ba3       Ba2       Mn2             77.914(21)      1_455  .      1_565  n
  Ba3       Ba2       Mn2             168.00(10)      1_455  .      1_665  n
  Ba3       Ba2       Li2             77.915(21)      1_455  .      1_555  n
  Ba3       Ba2       Li2             77.914(21)      1_455  .      1_565  n
  Ba3       Ba2       Li2             168.00(10)      1_455  .      1_665  n
  Ba3       Ba2       O2               45.73(17)      1_455  .      1_455  n
  Ba3       Ba2       O2              139.73(19)      1_455  .      1_555  n
  Ba3       Ba2       O2               89.11(18)      1_455  .      2_655  n
  Ba3       Ba2       O2               89.11(18)      1_455  .      2_665  n
  Ba3       Ba2       O2               45.73(17)      1_455  .      3_565  n
  Ba3       Ba2       O2              139.73(19)      1_455  .      3_675  n
  Ba3       Ba2       Ba3               94.01(8)      1_555  .      1_565  n
  Ba3       Ba2       Ba4               57.62(6)      1_555  .      1_555  n
  Ba3       Ba2       Mn1               53.97(5)      1_555  .     -1_556  n
  Ba3       Ba2       Mn1             126.29(15)      1_555  .     -1_566  n
  Ba3       Ba2       Mn1               53.97(5)      1_555  .     -1_666  n
  Ba3       Ba2       Li1               53.97(5)      1_555  .     -1_556  n
  Ba3       Ba2       Li1             126.29(15)      1_555  .     -1_566  n
  Ba3       Ba2       Li1               53.97(5)      1_555  .     -1_666  n
  Ba3       Ba2       Mn2             77.915(21)      1_555  .      1_555  n
  Ba3       Ba2       Mn2             168.00(10)      1_555  .      1_565  n
  Ba3       Ba2       Mn2             77.915(21)      1_555  .      1_665  n
  Ba3       Ba2       Li2             77.915(21)      1_555  .      1_555  n
  Ba3       Ba2       Li2             168.00(10)      1_555  .      1_565  n
  Ba3       Ba2       Li2             77.915(21)      1_555  .      1_665  n
  Ba3       Ba2       O2              139.73(19)      1_555  .      1_455  n
  Ba3       Ba2       O2               45.73(17)      1_555  .      1_555  n
  Ba3       Ba2       O2               45.73(17)      1_555  .      2_655  n
  Ba3       Ba2       O2              139.73(19)      1_555  .      2_665  n
  Ba3       Ba2       O2               89.11(18)      1_555  .      3_565  n
  Ba3       Ba2       O2               89.11(18)      1_555  .      3_675  n
  Ba3       Ba2       Ba4               57.62(6)      1_565  .      1_555  n
  Ba3       Ba2       Mn1             126.29(15)      1_565  .     -1_556  n
  Ba3       Ba2       Mn1               53.97(5)      1_565  .     -1_566  n
  Ba3       Ba2       Mn1               53.97(5)      1_565  .     -1_666  n
  Ba3       Ba2       Li1             126.29(15)      1_565  .     -1_556  n
  Ba3       Ba2       Li1               53.97(5)      1_565  .     -1_566  n
  Ba3       Ba2       Li1               53.97(5)      1_565  .     -1_666  n
  Ba3       Ba2       Mn2             168.00(10)      1_565  .      1_555  n
  Ba3       Ba2       Mn2             77.914(21)      1_565  .      1_565  n
  Ba3       Ba2       Mn2             77.914(21)      1_565  .      1_665  n
  Ba3       Ba2       Li2             168.00(10)      1_565  .      1_555  n
  Ba3       Ba2       Li2             77.914(21)      1_565  .      1_565  n
  Ba3       Ba2       Li2             77.914(21)      1_565  .      1_665  n
  Ba3       Ba2       O2               89.10(18)      1_565  .      1_455  n
  Ba3       Ba2       O2               89.11(18)      1_565  .      1_555  n
  Ba3       Ba2       O2              139.73(19)      1_565  .      2_655  n
  Ba3       Ba2       O2               45.73(17)      1_565  .      2_665  n
  Ba3       Ba2       O2              139.73(19)      1_565  .      3_565  n
  Ba3       Ba2       O2               45.73(17)      1_565  .      3_675  n
  Ba4       Ba2       Mn1              68.67(11)      1_555  .     -1_556  n
  Ba4       Ba2       Mn1              68.67(11)      1_555  .     -1_566  n
  Ba4       Ba2       Mn1              68.67(11)      1_555  .     -1_666  n
  Ba4       Ba2       Li1              68.67(11)      1_555  .     -1_556  n
  Ba4       Ba2       Li1              68.67(11)      1_555  .     -1_566  n
  Ba4       Ba2       Li1              68.67(11)      1_555  .     -1_666  n
  Ba4       Ba2       Mn2              110.38(5)      1_555  .      1_555  n
  Ba4       Ba2       Mn2              110.38(5)      1_555  .      1_565  n
  Ba4       Ba2       Mn2              110.38(5)      1_555  .      1_665  n
  Ba4       Ba2       Li2              110.38(5)      1_555  .      1_555  n
  Ba4       Ba2       Li2              110.38(5)      1_555  .      1_565  n
  Ba4       Ba2       Li2              110.38(5)      1_555  .      1_665  n
  Ba4       Ba2       O2               91.76(19)      1_555  .      1_455  n
  Ba4       Ba2       O2               91.76(19)      1_555  .      1_555  n
  Ba4       Ba2       O2               91.76(19)      1_555  .      2_655  n
  Ba4       Ba2       O2               91.76(19)      1_555  .      2_665  n
  Ba4       Ba2       O2               91.76(19)      1_555  .      3_565  n
  Ba4       Ba2       O2               91.76(19)      1_555  .      3_675  n
  Mn1       Ba2       Mn1             107.55(12)     -1_556  .     -1_566  n
  Mn1       Ba2       Mn1             107.55(12)     -1_556  .     -1_666  n
  Mn1       Ba2       Li1                    0.0     -1_556  .     -1_556  n
  Mn1       Ba2       Li1             107.55(12)     -1_556  .     -1_566  n
  Mn1       Ba2       Li1             107.55(12)     -1_556  .     -1_666  n
  Mn1       Ba2       Mn2              41.71(10)     -1_556  .      1_555  n
  Mn1       Ba2       Mn2            124.283(18)     -1_556  .      1_565  n
  Mn1       Ba2       Mn2            124.283(18)     -1_556  .      1_665  n
  Mn1       Ba2       Li2              41.71(10)     -1_556  .      1_555  n
  Mn1       Ba2       Li2            124.283(18)     -1_556  .      1_565  n
  Mn1       Ba2       Li2            124.283(18)     -1_556  .      1_665  n
  Mn1       Ba2       O2               92.67(17)     -1_556  .      1_455  n
  Mn1       Ba2       O2               92.67(17)     -1_556  .      1_555  n
  Mn1       Ba2       O2               35.69(19)     -1_556  .      2_655  n
  Mn1       Ba2       O2              143.06(19)     -1_556  .      2_665  n
  Mn1       Ba2       O2               35.69(19)     -1_556  .      3_565  n
  Mn1       Ba2       O2              143.06(19)     -1_556  .      3_675  n
  Mn1       Ba2       Mn1             107.55(12)     -1_566  .     -1_666  n
  Mn1       Ba2       Li1             107.55(12)     -1_566  .     -1_556  n
  Mn1       Ba2       Li1                    0.0     -1_566  .     -1_566  n
  Mn1       Ba2       Li1             107.55(12)     -1_566  .     -1_666  n
  Mn1       Ba2       Mn2            124.283(18)     -1_566  .      1_555  n
  Mn1       Ba2       Mn2              41.71(10)     -1_566  .      1_565  n
  Mn1       Ba2       Mn2            124.282(18)     -1_566  .      1_665  n
  Mn1       Ba2       Li2            124.283(18)     -1_566  .      1_555  n
  Mn1       Ba2       Li2              41.71(10)     -1_566  .      1_565  n
  Mn1       Ba2       Li2            124.282(18)     -1_566  .      1_665  n
  Mn1       Ba2       O2               35.69(19)     -1_566  .      1_455  n
  Mn1       Ba2       O2              143.05(19)     -1_566  .      1_555  n
  Mn1       Ba2       O2              143.06(19)     -1_566  .      2_655  n
  Mn1       Ba2       O2               35.69(19)     -1_566  .      2_665  n
  Mn1       Ba2       O2               92.67(17)     -1_566  .      3_565  n
  Mn1       Ba2       O2               92.66(17)     -1_566  .      3_675  n
  Mn1       Ba2       Li1             107.55(12)     -1_666  .     -1_556  n
  Mn1       Ba2       Li1             107.55(12)     -1_666  .     -1_566  n
  Mn1       Ba2       Li1                    0.0     -1_666  .     -1_666  n
  Mn1       Ba2       Mn2            124.283(18)     -1_666  .      1_555  n
  Mn1       Ba2       Mn2            124.282(18)     -1_666  .      1_565  n
  Mn1       Ba2       Mn2              41.71(10)     -1_666  .      1_665  n
  Mn1       Ba2       Li2            124.283(18)     -1_666  .      1_555  n
  Mn1       Ba2       Li2            124.282(18)     -1_666  .      1_565  n
  Mn1       Ba2       Li2              41.71(10)     -1_666  .      1_665  n
  Mn1       Ba2       O2              143.05(19)     -1_666  .      1_455  n
  Mn1       Ba2       O2               35.69(19)     -1_666  .      1_555  n
  Mn1       Ba2       O2               92.67(17)     -1_666  .      2_655  n
  Mn1       Ba2       O2               92.66(17)     -1_666  .      2_665  n
  Mn1       Ba2       O2              143.06(19)     -1_666  .      3_565  n
  Mn1       Ba2       O2               35.69(19)     -1_666  .      3_675  n
  Li1       Ba2       Li1             107.55(12)     -1_556  .     -1_566  n
  Li1       Ba2       Li1             107.55(12)     -1_556  .     -1_666  n
  Li1       Ba2       Mn2              41.71(10)     -1_556  .      1_555  n
  Li1       Ba2       Mn2            124.283(18)     -1_556  .      1_565  n
  Li1       Ba2       Mn2            124.283(18)     -1_556  .      1_665  n
  Li1       Ba2       Li2              41.71(10)     -1_556  .      1_555  n
  Li1       Ba2       Li2            124.283(18)     -1_556  .      1_565  n
  Li1       Ba2       Li2            124.283(18)     -1_556  .      1_665  n
  Li1       Ba2       O2               92.67(17)     -1_556  .      1_455  n
  Li1       Ba2       O2               92.67(17)     -1_556  .      1_555  n
  Li1       Ba2       O2               35.69(19)     -1_556  .      2_655  n
  Li1       Ba2       O2              143.06(19)     -1_556  .      2_665  n
  Li1       Ba2       O2               35.69(19)     -1_556  .      3_565  n
  Li1       Ba2       O2              143.06(19)     -1_556  .      3_675  n
  Li1       Ba2       Li1             107.55(12)     -1_566  .     -1_666  n
  Li1       Ba2       Mn2            124.283(18)     -1_566  .      1_555  n
  Li1       Ba2       Mn2              41.71(10)     -1_566  .      1_565  n
  Li1       Ba2       Mn2            124.282(18)     -1_566  .      1_665  n
  Li1       Ba2       Li2            124.283(18)     -1_566  .      1_555  n
  Li1       Ba2       Li2              41.71(10)     -1_566  .      1_565  n
  Li1       Ba2       Li2            124.282(18)     -1_566  .      1_665  n
  Li1       Ba2       O2               35.69(19)     -1_566  .      1_455  n
  Li1       Ba2       O2              143.05(19)     -1_566  .      1_555  n
  Li1       Ba2       O2              143.06(19)     -1_566  .      2_655  n
  Li1       Ba2       O2               35.69(19)     -1_566  .      2_665  n
  Li1       Ba2       O2               92.67(17)     -1_566  .      3_565  n
  Li1       Ba2       O2               92.66(17)     -1_566  .      3_675  n
  Li1       Ba2       Mn2            124.283(18)     -1_666  .      1_555  n
  Li1       Ba2       Mn2            124.282(18)     -1_666  .      1_565  n
  Li1       Ba2       Mn2              41.71(10)     -1_666  .      1_665  n
  Li1       Ba2       Li2            124.283(18)     -1_666  .      1_555  n
  Li1       Ba2       Li2            124.282(18)     -1_666  .      1_565  n
  Li1       Ba2       Li2              41.71(10)     -1_666  .      1_665  n
  Li1       Ba2       O2              143.05(19)     -1_666  .      1_455  n
  Li1       Ba2       O2               35.69(19)     -1_666  .      1_555  n
  Li1       Ba2       O2               92.67(17)     -1_666  .      2_655  n
  Li1       Ba2       O2               92.66(17)     -1_666  .      2_665  n
  Li1       Ba2       O2              143.06(19)     -1_666  .      3_565  n
  Li1       Ba2       O2               35.69(19)     -1_666  .      3_675  n
  Mn2       Ba2       Mn2              108.55(5)      1_555  .      1_565  n
  Mn2       Ba2       Mn2              108.55(5)      1_555  .      1_665  n
  Mn2       Ba2       Li2                    0.0      1_555  .      1_555  n
  Mn2       Ba2       Li2              108.55(5)      1_555  .      1_565  n
  Mn2       Ba2       Li2              108.55(5)      1_555  .      1_665  n
  Mn2       Ba2       O2               91.43(17)      1_555  .      1_455  n
  Mn2       Ba2       O2               91.43(17)      1_555  .      1_555  n
  Mn2       Ba2       O2               32.93(17)      1_555  .      2_655  n
  Mn2       Ba2       O2              141.48(18)      1_555  .      2_665  n
  Mn2       Ba2       O2               32.93(17)      1_555  .      3_565  n
  Mn2       Ba2       O2              141.48(18)      1_555  .      3_675  n
  Mn2       Ba2       Mn2              108.55(5)      1_565  .      1_665  n
  Mn2       Ba2       Li2              108.55(5)      1_565  .      1_555  n
  Mn2       Ba2       Li2                    0.0      1_565  .      1_565  n
  Mn2       Ba2       Li2              108.55(5)      1_565  .      1_665  n
  Mn2       Ba2       O2               32.93(17)      1_565  .      1_455  n
  Mn2       Ba2       O2              141.48(18)      1_565  .      1_555  n
  Mn2       Ba2       O2              141.48(18)      1_565  .      2_655  n
  Mn2       Ba2       O2               32.93(17)      1_565  .      2_665  n
  Mn2       Ba2       O2               91.43(17)      1_565  .      3_565  n
  Mn2       Ba2       O2               91.43(17)      1_565  .      3_675  n
  Mn2       Ba2       Li2              108.55(5)      1_665  .      1_555  n
  Mn2       Ba2       Li2              108.55(5)      1_665  .      1_565  n
  Mn2       Ba2       Li2                    0.0      1_665  .      1_665  n
  Mn2       Ba2       O2              141.48(18)      1_665  .      1_455  n
  Mn2       Ba2       O2               32.93(17)      1_665  .      1_555  n
  Mn2       Ba2       O2               91.43(17)      1_665  .      2_655  n
  Mn2       Ba2       O2               91.43(17)      1_665  .      2_665  n
  Mn2       Ba2       O2              141.48(18)      1_665  .      3_565  n
  Mn2       Ba2       O2               32.93(17)      1_665  .      3_675  n
  Li2       Ba2       Li2              108.55(5)      1_555  .      1_565  n
  Li2       Ba2       Li2              108.55(5)      1_555  .      1_665  n
  Li2       Ba2       O2               91.43(17)      1_555  .      1_455  n
  Li2       Ba2       O2               91.43(17)      1_555  .      1_555  n
  Li2       Ba2       O2               32.93(17)      1_555  .      2_655  n
  Li2       Ba2       O2              141.48(18)      1_555  .      2_665  n
  Li2       Ba2       O2               32.93(17)      1_555  .      3_565  n
  Li2       Ba2       O2              141.48(18)      1_555  .      3_675  n
  Li2       Ba2       Li2              108.55(5)      1_565  .      1_665  n
  Li2       Ba2       O2               32.93(17)      1_565  .      1_455  n
  Li2       Ba2       O2              141.48(18)      1_565  .      1_555  n
  Li2       Ba2       O2              141.48(18)      1_565  .      2_655  n
  Li2       Ba2       O2               32.93(17)      1_565  .      2_665  n
  Li2       Ba2       O2               91.43(17)      1_565  .      3_565  n
  Li2       Ba2       O2               91.43(17)      1_565  .      3_675  n
  Li2       Ba2       O2              141.48(18)      1_665  .      1_455  n
  Li2       Ba2       O2               32.93(17)      1_665  .      1_555  n
  Li2       Ba2       O2               91.43(17)      1_665  .      2_655  n
  Li2       Ba2       O2               91.43(17)      1_665  .      2_665  n
  Li2       Ba2       O2              141.48(18)      1_665  .      3_565  n
  Li2       Ba2       O2               32.93(17)      1_665  .      3_675  n
  O2        Ba2       O2              174.41(34)      1_455  .      1_555  n
  O2        Ba2       O2             119.908(20)      1_455  .      2_655  n
  O2        Ba2       O2               55.62(33)      1_455  .      2_665  n
  O2        Ba2       O2               64.32(33)      1_455  .      3_565  n
  O2        Ba2       O2             119.906(20)      1_455  .      3_675  n
  O2        Ba2       O2               64.32(33)      1_555  .      2_655  n
  O2        Ba2       O2             119.906(20)      1_555  .      2_665  n
  O2        Ba2       O2             119.908(20)      1_555  .      3_565  n
  O2        Ba2       O2               55.62(33)      1_555  .      3_675  n
  O2        Ba2       O2              174.41(34)      2_655  .      2_665  n
  O2        Ba2       O2               55.62(33)      2_655  .      3_565  n
  O2        Ba2       O2             119.907(20)      2_655  .      3_675  n
  O2        Ba2       O2             119.907(20)      2_665  .      3_565  n
  O2        Ba2       O2               64.32(33)      2_665  .      3_675  n
  O2        Ba2       O2              174.41(34)      3_565  .      3_675  n
  Ba2       Ba3       Ba2               94.01(8)      1_545  .      1_555  n
  Ba2       Ba3       Ba2               94.01(8)      1_545  .      1_655  n
  Ba2       Ba3       Ba4               66.04(4)      1_545  .      1_545  n
  Ba2       Ba3       Ba4            130.413(13)      1_545  .      1_555  n
  Ba2       Ba3       Ba4            130.411(13)      1_545  .      1_655  n
  Ba2       Ba3       Mn1               57.52(6)      1_545  .     -1_556  n
  Ba2       Ba3       Mn1               57.52(6)      1_545  .     -1_656  n
  Ba2       Ba3       Mn1             133.94(15)      1_545  .     -1_666  n
  Ba2       Ba3       Li1               57.52(6)      1_545  .     -1_556  n
  Ba2       Ba3       Li1               57.52(6)      1_545  .     -1_656  n
  Ba2       Ba3       Li1             133.94(15)      1_545  .     -1_666  n
  Ba2       Ba3       Li3              122.38(6)      1_545  .      1_555  n
  Ba2       Ba3       Li4                84.6(5)      1_545  .     -1_556  n
  Ba2       Ba3       Li4                84.6(5)      1_545  .     -1_656  n
  Ba2       Ba3       Li4               178.0(8)      1_545  .     -1_666  n
  Ba2       Ba3       O2               96.51(21)      1_545  .      1_555  n
  Ba2       Ba3       O2                47.01(4)      1_545  .      2_655  n
  Ba2       Ba3       O2                47.01(4)      1_545  .      3_665  n
  Ba2       Ba3       O3               89.58(14)      1_545  .      1_555  n
  Ba2       Ba3       O3               89.57(14)      1_545  .      1_655  n
  Ba2       Ba3       O3               48.25(13)      1_545  .      2_655  n
  Ba2       Ba3       O3              142.25(14)      1_545  .      2_665  n
  Ba2       Ba3       O3               48.25(13)      1_545  .      3_555  n
  Ba2       Ba3       O3              142.25(14)      1_545  .      3_665  n
  Ba2       Ba3       Ba2               94.01(8)      1_555  .      1_655  n
  Ba2       Ba3       Ba4            130.413(13)      1_555  .      1_545  n
  Ba2       Ba3       Ba4               66.04(4)      1_555  .      1_555  n
  Ba2       Ba3       Ba4            130.413(13)      1_555  .      1_655  n
  Ba2       Ba3       Mn1               57.52(6)      1_555  .     -1_556  n
  Ba2       Ba3       Mn1             133.94(15)      1_555  .     -1_656  n
  Ba2       Ba3       Mn1               57.52(6)      1_555  .     -1_666  n
  Ba2       Ba3       Li1               57.52(6)      1_555  .     -1_556  n
  Ba2       Ba3       Li1             133.94(15)      1_555  .     -1_656  n
  Ba2       Ba3       Li1               57.52(6)      1_555  .     -1_666  n
  Ba2       Ba3       Li3              122.38(6)      1_555  .      1_555  n
  Ba2       Ba3       Li4                84.6(5)      1_555  .     -1_556  n
  Ba2       Ba3       Li4               178.0(8)      1_555  .     -1_656  n
  Ba2       Ba3       Li4                84.6(5)      1_555  .     -1_666  n
  Ba2       Ba3       O2                47.01(4)      1_555  .      1_555  n
  Ba2       Ba3       O2                47.01(4)      1_555  .      2_655  n
  Ba2       Ba3       O2               96.51(21)      1_555  .      3_665  n
  Ba2       Ba3       O3               48.25(13)      1_555  .      1_555  n
  Ba2       Ba3       O3              142.25(14)      1_555  .      1_655  n
  Ba2       Ba3       O3              142.25(14)      1_555  .      2_655  n
  Ba2       Ba3       O3               48.25(13)      1_555  .      2_665  n
  Ba2       Ba3       O3               89.58(14)      1_555  .      3_555  n
  Ba2       Ba3       O3               89.58(14)      1_555  .      3_665  n
  Ba2       Ba3       Ba4            130.411(13)      1_655  .      1_545  n
  Ba2       Ba3       Ba4            130.413(13)      1_655  .      1_555  n
  Ba2       Ba3       Ba4               66.04(4)      1_655  .      1_655  n
  Ba2       Ba3       Mn1             133.94(15)      1_655  .     -1_556  n
  Ba2       Ba3       Mn1               57.52(6)      1_655  .     -1_656  n
  Ba2       Ba3       Mn1               57.52(6)      1_655  .     -1_666  n
  Ba2       Ba3       Li1             133.94(15)      1_655  .     -1_556  n
  Ba2       Ba3       Li1               57.52(6)      1_655  .     -1_656  n
  Ba2       Ba3       Li1               57.52(6)      1_655  .     -1_666  n
  Ba2       Ba3       Li3              122.38(6)      1_655  .      1_555  n
  Ba2       Ba3       Li4               178.0(8)      1_655  .     -1_556  n
  Ba2       Ba3       Li4                84.6(5)      1_655  .     -1_656  n
  Ba2       Ba3       Li4                84.6(5)      1_655  .     -1_666  n
  Ba2       Ba3       O2                47.01(4)      1_655  .      1_555  n
  Ba2       Ba3       O2               96.51(21)      1_655  .      2_655  n
  Ba2       Ba3       O2                47.01(4)      1_655  .      3_665  n
  Ba2       Ba3       O3              142.25(14)      1_655  .      1_555  n
  Ba2       Ba3       O3               48.25(13)      1_655  .      1_655  n
  Ba2       Ba3       O3               89.57(14)      1_655  .      2_655  n
  Ba2       Ba3       O3               89.57(14)      1_655  .      2_665  n
  Ba2       Ba3       O3              142.25(14)      1_655  .      3_555  n
  Ba2       Ba3       O3               48.25(13)      1_655  .      3_665  n
  Ba4       Ba3       Ba4               92.24(6)      1_545  .      1_555  n
  Ba4       Ba3       Ba4               92.24(6)      1_545  .      1_655  n
  Ba4       Ba3       Mn1               74.14(7)      1_545  .     -1_556  n
  Ba4       Ba3       Mn1               74.14(7)      1_545  .     -1_656  n
  Ba4       Ba3       Mn1             160.02(15)      1_545  .     -1_666  n
  Ba4       Ba3       Li1               74.14(7)      1_545  .     -1_556  n
  Ba4       Ba3       Li1               74.14(7)      1_545  .     -1_656  n
  Ba4       Ba3       Li1             160.02(15)      1_545  .     -1_666  n
  Ba4       Ba3       Li3               56.34(5)      1_545  .      1_555  n
  Ba4       Ba3       Li4              50.27(27)      1_545  .     -1_556  n
  Ba4       Ba3       Li4              50.27(27)      1_545  .     -1_656  n
  Ba4       Ba3       Li4               116.0(8)      1_545  .     -1_666  n
  Ba4       Ba3       O2              162.55(21)      1_545  .      1_555  n
  Ba4       Ba3       O2               99.80(13)      1_545  .      2_655  n
  Ba4       Ba3       O2               99.80(13)      1_545  .      3_665  n
  Ba4       Ba3       O3               85.05(13)      1_545  .      1_555  n
  Ba4       Ba3       O3               85.05(13)      1_545  .      1_655  n
  Ba4       Ba3       O3               42.66(13)      1_545  .      2_655  n
  Ba4       Ba3       O3              134.45(14)      1_545  .      2_665  n
  Ba4       Ba3       O3               42.66(13)      1_545  .      3_555  n
  Ba4       Ba3       O3              134.44(14)      1_545  .      3_665  n
  Ba4       Ba3       Ba4               92.24(6)      1_555  .      1_655  n
  Ba4       Ba3       Mn1               74.14(7)      1_555  .     -1_556  n
  Ba4       Ba3       Mn1             160.02(15)      1_555  .     -1_656  n
  Ba4       Ba3       Mn1               74.14(7)      1_555  .     -1_666  n
  Ba4       Ba3       Li1               74.14(7)      1_555  .     -1_556  n
  Ba4       Ba3       Li1             160.02(15)      1_555  .     -1_656  n
  Ba4       Ba3       Li1               74.14(7)      1_555  .     -1_666  n
  Ba4       Ba3       Li3               56.34(5)      1_555  .      1_555  n
  Ba4       Ba3       Li4              50.27(27)      1_555  .     -1_556  n
  Ba4       Ba3       Li4               116.0(8)      1_555  .     -1_656  n
  Ba4       Ba3       Li4              50.27(27)      1_555  .     -1_666  n
  Ba4       Ba3       O2               99.80(13)      1_555  .      1_555  n
  Ba4       Ba3       O2               99.80(13)      1_555  .      2_655  n
  Ba4       Ba3       O2              162.55(21)      1_555  .      3_665  n
  Ba4       Ba3       O3               42.66(13)      1_555  .      1_555  n
  Ba4       Ba3       O3              134.44(14)      1_555  .      1_655  n
  Ba4       Ba3       O3              134.45(14)      1_555  .      2_655  n
  Ba4       Ba3       O3               42.66(13)      1_555  .      2_665  n
  Ba4       Ba3       O3               85.05(13)      1_555  .      3_555  n
  Ba4       Ba3       O3               85.05(13)      1_555  .      3_665  n
  Ba4       Ba3       Mn1             160.02(15)      1_655  .     -1_556  n
  Ba4       Ba3       Mn1               74.14(7)      1_655  .     -1_656  n
  Ba4       Ba3       Mn1               74.14(7)      1_655  .     -1_666  n
  Ba4       Ba3       Li1             160.02(15)      1_655  .     -1_556  n
  Ba4       Ba3       Li1               74.14(7)      1_655  .     -1_656  n
  Ba4       Ba3       Li1               74.14(7)      1_655  .     -1_666  n
  Ba4       Ba3       Li3               56.34(5)      1_655  .      1_555  n
  Ba4       Ba3       Li4               116.0(8)      1_655  .     -1_556  n
  Ba4       Ba3       Li4              50.26(27)      1_655  .     -1_656  n
  Ba4       Ba3       Li4              50.27(27)      1_655  .     -1_666  n
  Ba4       Ba3       O2               99.80(13)      1_655  .      1_555  n
  Ba4       Ba3       O2              162.55(21)      1_655  .      2_655  n
  Ba4       Ba3       O2               99.80(13)      1_655  .      3_665  n
  Ba4       Ba3       O3              134.45(14)      1_655  .      1_555  n
  Ba4       Ba3       O3               42.66(13)      1_655  .      1_655  n
  Ba4       Ba3       O3               85.04(13)      1_655  .      2_655  n
  Ba4       Ba3       O3               85.05(13)      1_655  .      2_665  n
  Ba4       Ba3       O3              134.44(14)      1_655  .      3_555  n
  Ba4       Ba3       O3               42.66(13)      1_655  .      3_665  n
  Mn1       Ba3       Mn1              114.59(9)     -1_556  .     -1_656  n
  Mn1       Ba3       Mn1              114.59(9)     -1_556  .     -1_666  n
  Mn1       Ba3       Li1                    0.0     -1_556  .     -1_556  n
  Mn1       Ba3       Li1              114.59(9)     -1_556  .     -1_656  n
  Mn1       Ba3       Li1              114.59(9)     -1_556  .     -1_666  n
  Mn1       Ba3       Li3             103.69(12)     -1_556  .      1_555  n
  Mn1       Ba3       Li4                44.0(8)     -1_556  .     -1_556  n
  Mn1       Ba3       Li4              122.60(6)     -1_556  .     -1_656  n
  Mn1       Ba3       Li4              122.60(6)     -1_556  .     -1_666  n
  Mn1       Ba3       O2               96.94(15)     -1_556  .      1_555  n
  Mn1       Ba3       O2               37.43(21)     -1_556  .      2_655  n
  Mn1       Ba3       O2               96.94(15)     -1_556  .      3_665  n
  Mn1       Ba3       O3               32.07(15)     -1_556  .      1_555  n
  Mn1       Ba3       O3              145.94(14)     -1_556  .      1_655  n
  Mn1       Ba3       O3               94.06(13)     -1_556  .      2_655  n
  Mn1       Ba3       O3               94.06(13)     -1_556  .      2_665  n
  Mn1       Ba3       O3               32.07(15)     -1_556  .      3_555  n
  Mn1       Ba3       O3              145.94(14)     -1_556  .      3_665  n
  Mn1       Ba3       Mn1              114.58(9)     -1_656  .     -1_666  n
  Mn1       Ba3       Li1              114.59(9)     -1_656  .     -1_556  n
  Mn1       Ba3       Li1                    0.0     -1_656  .     -1_656  n
  Mn1       Ba3       Li1              114.58(9)     -1_656  .     -1_666  n
  Mn1       Ba3       Li3             103.69(12)     -1_656  .      1_555  n
  Mn1       Ba3       Li4              122.60(6)     -1_656  .     -1_556  n
  Mn1       Ba3       Li4                44.0(8)     -1_656  .     -1_656  n
  Mn1       Ba3       Li4              122.60(6)     -1_656  .     -1_666  n
  Mn1       Ba3       O2               96.94(15)     -1_656  .      1_555  n
  Mn1       Ba3       O2               96.94(15)     -1_656  .      2_655  n
  Mn1       Ba3       O2               37.42(21)     -1_656  .      3_665  n
  Mn1       Ba3       O3              145.94(14)     -1_656  .      1_555  n
  Mn1       Ba3       O3               32.07(15)     -1_656  .      1_655  n
  Mn1       Ba3       O3               32.07(15)     -1_656  .      2_655  n
  Mn1       Ba3       O3              145.94(14)     -1_656  .      2_665  n
  Mn1       Ba3       O3               94.06(13)     -1_656  .      3_555  n
  Mn1       Ba3       O3               94.06(13)     -1_656  .      3_665  n
  Mn1       Ba3       Li1              114.59(9)     -1_666  .     -1_556  n
  Mn1       Ba3       Li1              114.58(9)     -1_666  .     -1_656  n
  Mn1       Ba3       Li1                    0.0     -1_666  .     -1_666  n
  Mn1       Ba3       Li3             103.68(12)     -1_666  .      1_555  n
  Mn1       Ba3       Li4              122.60(6)     -1_666  .     -1_556  n
  Mn1       Ba3       Li4              122.60(6)     -1_666  .     -1_656  n
  Mn1       Ba3       Li4                44.0(8)     -1_666  .     -1_666  n
  Mn1       Ba3       O2               37.42(21)     -1_666  .      1_555  n
  Mn1       Ba3       O2               96.94(15)     -1_666  .      2_655  n
  Mn1       Ba3       O2               96.94(15)     -1_666  .      3_665  n
  Mn1       Ba3       O3               94.06(13)     -1_666  .      1_555  n
  Mn1       Ba3       O3               94.06(13)     -1_666  .      1_655  n
  Mn1       Ba3       O3              145.94(14)     -1_666  .      2_655  n
  Mn1       Ba3       O3               32.07(15)     -1_666  .      2_665  n
  Mn1       Ba3       O3              145.94(14)     -1_666  .      3_555  n
  Mn1       Ba3       O3               32.07(15)     -1_666  .      3_665  n
  Li1       Ba3       Li1              114.59(9)     -1_556  .     -1_656  n
  Li1       Ba3       Li1              114.59(9)     -1_556  .     -1_666  n
  Li1       Ba3       Li3             103.69(12)     -1_556  .      1_555  n
  Li1       Ba3       Li4                44.0(8)     -1_556  .     -1_556  n
  Li1       Ba3       Li4              122.60(6)     -1_556  .     -1_656  n
  Li1       Ba3       Li4              122.60(6)     -1_556  .     -1_666  n
  Li1       Ba3       O2               96.94(15)     -1_556  .      1_555  n
  Li1       Ba3       O2               37.43(21)     -1_556  .      2_655  n
  Li1       Ba3       O2               96.94(15)     -1_556  .      3_665  n
  Li1       Ba3       O3               32.07(15)     -1_556  .      1_555  n
  Li1       Ba3       O3              145.94(14)     -1_556  .      1_655  n
  Li1       Ba3       O3               94.06(13)     -1_556  .      2_655  n
  Li1       Ba3       O3               94.06(13)     -1_556  .      2_665  n
  Li1       Ba3       O3               32.07(15)     -1_556  .      3_555  n
  Li1       Ba3       O3              145.94(14)     -1_556  .      3_665  n
  Li1       Ba3       Li1              114.58(9)     -1_656  .     -1_666  n
  Li1       Ba3       Li3             103.69(12)     -1_656  .      1_555  n
  Li1       Ba3       Li4              122.60(6)     -1_656  .     -1_556  n
  Li1       Ba3       Li4                44.0(8)     -1_656  .     -1_656  n
  Li1       Ba3       Li4              122.60(6)     -1_656  .     -1_666  n
  Li1       Ba3       O2               96.94(15)     -1_656  .      1_555  n
  Li1       Ba3       O2               96.94(15)     -1_656  .      2_655  n
  Li1       Ba3       O2               37.42(21)     -1_656  .      3_665  n
  Li1       Ba3       O3              145.94(14)     -1_656  .      1_555  n
  Li1       Ba3       O3               32.07(15)     -1_656  .      1_655  n
  Li1       Ba3       O3               32.07(15)     -1_656  .      2_655  n
  Li1       Ba3       O3              145.94(14)     -1_656  .      2_665  n
  Li1       Ba3       O3               94.06(13)     -1_656  .      3_555  n
  Li1       Ba3       O3               94.06(13)     -1_656  .      3_665  n
  Li1       Ba3       Li3             103.68(12)     -1_666  .      1_555  n
  Li1       Ba3       Li4              122.60(6)     -1_666  .     -1_556  n
  Li1       Ba3       Li4              122.60(6)     -1_666  .     -1_656  n
  Li1       Ba3       Li4                44.0(8)     -1_666  .     -1_666  n
  Li1       Ba3       O2               37.42(21)     -1_666  .      1_555  n
  Li1       Ba3       O2               96.94(15)     -1_666  .      2_655  n
  Li1       Ba3       O2               96.94(15)     -1_666  .      3_665  n
  Li1       Ba3       O3               94.06(13)     -1_666  .      1_555  n
  Li1       Ba3       O3               94.06(13)     -1_666  .      1_655  n
  Li1       Ba3       O3              145.94(14)     -1_666  .      2_655  n
  Li1       Ba3       O3               32.07(15)     -1_666  .      2_665  n
  Li1       Ba3       O3              145.94(14)     -1_666  .      3_555  n
  Li1       Ba3       O3               32.07(15)     -1_666  .      3_665  n
  Li3       Ba3       Li4                59.6(8)      1_555  .     -1_556  n
  Li3       Ba3       Li4                59.6(8)      1_555  .     -1_656  n
  Li3       Ba3       Li4                59.6(8)      1_555  .     -1_666  n
  Li3       Ba3       O2              141.11(19)      1_555  .      1_555  n
  Li3       Ba3       O2              141.11(19)      1_555  .      2_655  n
  Li3       Ba3       O2              141.11(19)      1_555  .      3_665  n
  Li3       Ba3       O3               85.81(13)      1_555  .      1_555  n
  Li3       Ba3       O3               85.81(13)      1_555  .      1_655  n
  Li3       Ba3       O3               85.81(13)      1_555  .      2_655  n
  Li3       Ba3       O3               85.81(13)      1_555  .      2_665  n
  Li3       Ba3       O3               85.81(13)      1_555  .      3_555  n
  Li3       Ba3       O3               85.81(13)      1_555  .      3_665  n
  Li4       Ba3       Li4               96.7(10)     -1_556  .     -1_656  n
  Li4       Ba3       Li4               96.7(10)     -1_556  .     -1_666  n
  Li4       Ba3       O2                131.6(5)     -1_556  .      1_555  n
  Li4       Ba3       O2                 81.5(8)     -1_556  .      2_655  n
  Li4       Ba3       O2                131.6(5)     -1_556  .      3_665  n
  Li4       Ba3       O3                 36.4(5)     -1_556  .      1_555  n
  Li4       Ba3       O3                133.1(5)     -1_556  .      1_655  n
  Li4       Ba3       O3               90.61(16)     -1_556  .      2_655  n
  Li4       Ba3       O3               90.61(16)     -1_556  .      2_665  n
  Li4       Ba3       O3                 36.4(5)     -1_556  .      3_555  n
  Li4       Ba3       O3                133.1(5)     -1_556  .      3_665  n
  Li4       Ba3       Li4               96.7(10)     -1_656  .     -1_666  n
  Li4       Ba3       O2                131.6(5)     -1_656  .      1_555  n
  Li4       Ba3       O2                131.6(5)     -1_656  .      2_655  n
  Li4       Ba3       O2                 81.5(8)     -1_656  .      3_665  n
  Li4       Ba3       O3                133.1(5)     -1_656  .      1_555  n
  Li4       Ba3       O3                 36.4(5)     -1_656  .      1_655  n
  Li4       Ba3       O3                 36.4(5)     -1_656  .      2_655  n
  Li4       Ba3       O3                133.1(5)     -1_656  .      2_665  n
  Li4       Ba3       O3               90.61(16)     -1_656  .      3_555  n
  Li4       Ba3       O3               90.61(16)     -1_656  .      3_665  n
  Li4       Ba3       O2                 81.5(8)     -1_666  .      1_555  n
  Li4       Ba3       O2                131.6(5)     -1_666  .      2_655  n
  Li4       Ba3       O2                131.6(5)     -1_666  .      3_665  n
  Li4       Ba3       O3               90.61(16)     -1_666  .      1_555  n
  Li4       Ba3       O3               90.61(16)     -1_666  .      1_655  n
  Li4       Ba3       O3                133.1(5)     -1_666  .      2_655  n
  Li4       Ba3       O3                 36.4(5)     -1_666  .      2_665  n
  Li4       Ba3       O3                133.1(5)     -1_666  .      3_555  n
  Li4       Ba3       O3                 36.4(5)     -1_666  .      3_665  n
  O2        Ba3       O2               65.87(31)      1_555  .      2_655  n
  O2        Ba3       O2               65.87(31)      1_555  .      3_665  n
  O2        Ba3       O3               95.25(13)      1_555  .      1_555  n
  O2        Ba3       O3               95.25(13)      1_555  .      1_655  n
  O2        Ba3       O3              125.52(20)      1_555  .      2_655  n
  O2        Ba3       O3               59.88(21)      1_555  .      2_665  n
  O2        Ba3       O3              125.52(20)      1_555  .      3_555  n
  O2        Ba3       O3               59.88(21)      1_555  .      3_665  n
  O2        Ba3       O2               65.87(31)      2_655  .      3_665  n
  O2        Ba3       O3               59.88(21)      2_655  .      1_555  n
  O2        Ba3       O3              125.52(20)      2_655  .      1_655  n
  O2        Ba3       O3               95.25(13)      2_655  .      2_655  n
  O2        Ba3       O3               95.25(13)      2_655  .      2_665  n
  O2        Ba3       O3               59.88(21)      2_655  .      3_555  n
  O2        Ba3       O3              125.52(20)      2_655  .      3_665  n
  O2        Ba3       O3              125.52(20)      3_665  .      1_555  n
  O2        Ba3       O3               59.88(21)      3_665  .      1_655  n
  O2        Ba3       O3               59.88(21)      3_665  .      2_655  n
  O2        Ba3       O3              125.52(20)      3_665  .      2_665  n
  O2        Ba3       O3               95.25(13)      3_665  .      3_555  n
  O2        Ba3       O3               95.25(13)      3_665  .      3_665  n
  O3        Ba3       O3              169.50(26)      1_555  .      1_655  n
  O3        Ba3       O3             119.473(33)      1_555  .      2_655  n
  O3        Ba3       O3               66.14(27)      1_555  .      2_665  n
  O3        Ba3       O3               53.51(27)      1_555  .      3_555  n
  O3        Ba3       O3             119.472(33)      1_555  .      3_665  n
  O3        Ba3       O3               53.51(27)      1_655  .      2_655  n
  O3        Ba3       O3             119.471(33)      1_655  .      2_665  n
  O3        Ba3       O3             119.472(33)      1_655  .      3_555  n
  O3        Ba3       O3               66.13(27)      1_655  .      3_665  n
  O3        Ba3       O3              169.50(26)      2_655  .      2_665  n
  O3        Ba3       O3               66.14(27)      2_655  .      3_555  n
  O3        Ba3       O3             119.471(33)      2_655  .      3_665  n
  O3        Ba3       O3             119.473(33)      2_665  .      3_555  n
  O3        Ba3       O3               53.51(27)      2_665  .      3_665  n
  O3        Ba3       O3              169.50(26)      3_555  .      3_665  n
  Ba1       Ba4       Ba1             80.636(35)      1_556  .      1_566  n
  Ba1       Ba4       Ba1             80.636(35)      1_556  .      1_666  n
  Ba1       Ba4       Ba2            131.658(23)      1_556  .      1_555  n
  Ba1       Ba4       Ba3             93.297(27)      1_556  .      1_455  n
  Ba1       Ba4       Ba3             93.297(27)      1_556  .      1_555  n
  Ba1       Ba4       Ba3              172.00(6)      1_556  .      1_565  n
  Ba1       Ba4       Li3               53.03(7)      1_556  .      1_455  n
  Ba1       Ba4       Li3               53.03(7)      1_556  .      1_555  n
  Ba1       Ba4       Li3             115.61(13)      1_556  .      1_565  n
  Ba1       Ba4       Li4               46.2(10)      1_556  .     -1_556  n
  Ba1       Ba4       Li4               115.2(7)      1_556  .     -1_566  n
  Ba1       Ba4       Li4               115.2(7)      1_556  .     -1_666  n
  Ba1       Ba4       Mn4               46.2(10)      1_556  .     -1_556  n
  Ba1       Ba4       Mn4               115.2(7)      1_556  .     -1_566  n
  Ba1       Ba4       Mn4               115.2(7)      1_556  .     -1_666  n
  Ba1       Ba4       O1               39.31(13)      1_556  .     -1_566  n
  Ba1       Ba4       O1              118.69(14)      1_556  .     -1_676  n
  Ba1       Ba4       O1               78.88(15)      1_556  .     -2_456  n
  Ba1       Ba4       O1               78.88(15)      1_556  .     -2_556  n
  Ba1       Ba4       O1               39.31(13)      1_556  .     -3_656  n
  Ba1       Ba4       O1              118.69(14)      1_556  .     -3_666  n
  Ba1       Ba4       O3               89.37(13)      1_556  .      1_555  n
  Ba1       Ba4       O3             137.993(33)      1_556  .      2_665  n
  Ba1       Ba4       O3             137.995(33)      1_556  .      3_565  n
  Ba1       Ba4       Ba1             80.636(35)      1_566  .      1_666  n
  Ba1       Ba4       Ba2            131.658(23)      1_566  .      1_555  n
  Ba1       Ba4       Ba3             93.296(27)      1_566  .      1_455  n
  Ba1       Ba4       Ba3              172.00(6)      1_566  .      1_555  n
  Ba1       Ba4       Ba3             93.296(27)      1_566  .      1_565  n
  Ba1       Ba4       Li3               53.03(7)      1_566  .      1_455  n
  Ba1       Ba4       Li3             115.61(13)      1_566  .      1_555  n
  Ba1       Ba4       Li3               53.03(7)      1_566  .      1_565  n
  Ba1       Ba4       Li4               115.2(7)      1_566  .     -1_556  n
  Ba1       Ba4       Li4               46.2(10)      1_566  .     -1_566  n
  Ba1       Ba4       Li4               115.2(7)      1_566  .     -1_666  n
  Ba1       Ba4       Mn4               115.2(7)      1_566  .     -1_556  n
  Ba1       Ba4       Mn4               46.2(10)      1_566  .     -1_566  n
  Ba1       Ba4       Mn4               115.2(7)      1_566  .     -1_666  n
  Ba1       Ba4       O1               78.88(15)      1_566  .     -1_566  n
  Ba1       Ba4       O1               78.88(15)      1_566  .     -1_676  n
  Ba1       Ba4       O1               39.31(13)      1_566  .     -2_456  n
  Ba1       Ba4       O1              118.69(14)      1_566  .     -2_556  n
  Ba1       Ba4       O1              118.69(14)      1_566  .     -3_656  n
  Ba1       Ba4       O1               39.31(13)      1_566  .     -3_666  n
  Ba1       Ba4       O3             137.993(33)      1_566  .      1_555  n
  Ba1       Ba4       O3             137.993(33)      1_566  .      2_665  n
  Ba1       Ba4       O3               89.37(13)      1_566  .      3_565  n
  Ba1       Ba4       Ba2            131.658(23)      1_666  .      1_555  n
  Ba1       Ba4       Ba3              172.00(6)      1_666  .      1_455  n
  Ba1       Ba4       Ba3             93.297(27)      1_666  .      1_555  n
  Ba1       Ba4       Ba3             93.296(27)      1_666  .      1_565  n
  Ba1       Ba4       Li3             115.61(13)      1_666  .      1_455  n
  Ba1       Ba4       Li3               53.03(7)      1_666  .      1_555  n
  Ba1       Ba4       Li3               53.03(7)      1_666  .      1_565  n
  Ba1       Ba4       Li4               115.2(7)      1_666  .     -1_556  n
  Ba1       Ba4       Li4               115.2(7)      1_666  .     -1_566  n
  Ba1       Ba4       Li4               46.2(10)      1_666  .     -1_666  n
  Ba1       Ba4       Mn4               115.2(7)      1_666  .     -1_556  n
  Ba1       Ba4       Mn4               115.2(7)      1_666  .     -1_566  n
  Ba1       Ba4       Mn4               46.2(10)      1_666  .     -1_666  n
  Ba1       Ba4       O1              118.69(14)      1_666  .     -1_566  n
  Ba1       Ba4       O1               39.31(13)      1_666  .     -1_676  n
  Ba1       Ba4       O1              118.69(14)      1_666  .     -2_456  n
  Ba1       Ba4       O1               39.31(13)      1_666  .     -2_556  n
  Ba1       Ba4       O1               78.88(15)      1_666  .     -3_656  n
  Ba1       Ba4       O1               78.88(15)      1_666  .     -3_666  n
  Ba1       Ba4       O3             137.995(33)      1_666  .      1_555  n
  Ba1       Ba4       O3               89.37(13)      1_666  .      2_665  n
  Ba1       Ba4       O3             137.991(33)      1_666  .      3_565  n
  Ba2       Ba4       Ba3               56.34(5)      1_555  .      1_455  n
  Ba2       Ba4       Ba3               56.34(5)      1_555  .      1_555  n
  Ba2       Ba4       Ba3               56.34(5)      1_555  .      1_565  n
  Ba2       Ba4       Li3             112.73(13)      1_555  .      1_455  n
  Ba2       Ba4       Li3             112.73(13)      1_555  .      1_555  n
  Ba2       Ba4       Li3             112.73(13)      1_555  .      1_565  n
  Ba2       Ba4       Li4               85.4(10)      1_555  .     -1_556  n
  Ba2       Ba4       Li4               85.4(10)      1_555  .     -1_566  n
  Ba2       Ba4       Li4               85.4(10)      1_555  .     -1_666  n
  Ba2       Ba4       Mn4               85.4(10)      1_555  .     -1_556  n
  Ba2       Ba4       Mn4               85.4(10)      1_555  .     -1_566  n
  Ba2       Ba4       Mn4               85.4(10)      1_555  .     -1_666  n
  Ba2       Ba4       O1              104.13(13)      1_555  .     -1_566  n
  Ba2       Ba4       O1              104.13(13)      1_555  .     -1_676  n
  Ba2       Ba4       O1              104.13(13)      1_555  .     -2_456  n
  Ba2       Ba4       O1              104.13(13)      1_555  .     -2_556  n
  Ba2       Ba4       O1              104.13(13)      1_555  .     -3_656  n
  Ba2       Ba4       O1              104.13(13)      1_555  .     -3_666  n
  Ba2       Ba4       O3               42.29(14)      1_555  .      1_555  n
  Ba2       Ba4       O3               42.29(14)      1_555  .      2_665  n
  Ba2       Ba4       O3               42.29(14)      1_555  .      3_565  n
  Ba3       Ba4       Ba3               92.24(6)      1_455  .      1_555  n
  Ba3       Ba4       Ba3               92.24(6)      1_455  .      1_565  n
  Ba3       Ba4       Li3              56.39(11)      1_455  .      1_455  n
  Ba3       Ba4       Li3              126.73(5)      1_455  .      1_555  n
  Ba3       Ba4       Li3              126.73(5)      1_455  .      1_565  n
  Ba3       Ba4       Li4                62.7(6)      1_455  .     -1_556  n
  Ba3       Ba4       Li4                62.7(6)      1_455  .     -1_566  n
  Ba3       Ba4       Li4              141.7(11)      1_455  .     -1_666  n
  Ba3       Ba4       Mn4                62.7(6)      1_455  .     -1_556  n
  Ba3       Ba4       Mn4                62.7(6)      1_455  .     -1_566  n
  Ba3       Ba4       Mn4              141.7(11)      1_455  .     -1_666  n
  Ba3       Ba4       O1               54.53(13)      1_455  .     -1_566  n
  Ba3       Ba4       O1              144.74(14)      1_455  .     -1_676  n
  Ba3       Ba4       O1               54.53(13)      1_455  .     -2_456  n
  Ba3       Ba4       O1              144.74(14)      1_455  .     -2_556  n
  Ba3       Ba4       O1               99.76(15)      1_455  .     -3_656  n
  Ba3       Ba4       O1               99.76(15)      1_455  .     -3_666  n
  Ba3       Ba4       O3              46.364(33)      1_455  .      1_555  n
  Ba3       Ba4       O3               98.63(16)      1_455  .      2_665  n
  Ba3       Ba4       O3              46.366(33)      1_455  .      3_565  n
  Ba3       Ba4       Ba3               92.24(6)      1_555  .      1_565  n
  Ba3       Ba4       Li3              126.73(5)      1_555  .      1_455  n
  Ba3       Ba4       Li3              56.39(11)      1_555  .      1_555  n
  Ba3       Ba4       Li3              126.73(5)      1_555  .      1_565  n
  Ba3       Ba4       Li4                62.7(6)      1_555  .     -1_556  n
  Ba3       Ba4       Li4              141.7(11)      1_555  .     -1_566  n
  Ba3       Ba4       Li4                62.7(6)      1_555  .     -1_666  n
  Ba3       Ba4       Mn4                62.7(6)      1_555  .     -1_556  n
  Ba3       Ba4       Mn4              141.7(11)      1_555  .     -1_566  n
  Ba3       Ba4       Mn4                62.7(6)      1_555  .     -1_666  n
  Ba3       Ba4       O1               99.76(15)      1_555  .     -1_566  n
  Ba3       Ba4       O1               99.76(15)      1_555  .     -1_676  n
  Ba3       Ba4       O1              144.74(14)      1_555  .     -2_456  n
  Ba3       Ba4       O1               54.53(13)      1_555  .     -2_556  n
  Ba3       Ba4       O1               54.53(13)      1_555  .     -3_656  n
  Ba3       Ba4       O1              144.74(14)      1_555  .     -3_666  n
  Ba3       Ba4       O3              46.366(33)      1_555  .      1_555  n
  Ba3       Ba4       O3              46.364(33)      1_555  .      2_665  n
  Ba3       Ba4       O3               98.63(16)      1_555  .      3_565  n
  Ba3       Ba4       Li3              126.73(5)      1_565  .      1_455  n
  Ba3       Ba4       Li3              126.73(5)      1_565  .      1_555  n
  Ba3       Ba4       Li3              56.39(11)      1_565  .      1_565  n
  Ba3       Ba4       Li4              141.7(11)      1_565  .     -1_556  n
  Ba3       Ba4       Li4                62.7(6)      1_565  .     -1_566  n
  Ba3       Ba4       Li4                62.7(6)      1_565  .     -1_666  n
  Ba3       Ba4       Mn4              141.7(11)      1_565  .     -1_556  n
  Ba3       Ba4       Mn4                62.7(6)      1_565  .     -1_566  n
  Ba3       Ba4       Mn4                62.7(6)      1_565  .     -1_666  n
  Ba3       Ba4       O1              144.74(14)      1_565  .     -1_566  n
  Ba3       Ba4       O1               54.53(13)      1_565  .     -1_676  n
  Ba3       Ba4       O1               99.76(15)      1_565  .     -2_456  n
  Ba3       Ba4       O1               99.76(15)      1_565  .     -2_556  n
  Ba3       Ba4       O1              144.74(14)      1_565  .     -3_656  n
  Ba3       Ba4       O1               54.53(13)      1_565  .     -3_666  n
  Ba3       Ba4       O3               98.63(16)      1_565  .      1_555  n
  Ba3       Ba4       O3              46.366(33)      1_565  .      2_665  n
  Ba3       Ba4       O3              46.363(33)      1_565  .      3_565  n
  Li3       Ba4       Li3             106.02(14)      1_455  .      1_555  n
  Li3       Ba4       Li3             106.02(14)      1_455  .      1_565  n
  Li3       Ba4       Li4                64.6(5)      1_455  .     -1_556  n
  Li3       Ba4       Li4                64.6(5)      1_455  .     -1_566  n
  Li3       Ba4       Li4              161.9(11)      1_455  .     -1_666  n
  Li3       Ba4       Mn4                64.6(5)      1_455  .     -1_556  n
  Li3       Ba4       Mn4                64.6(5)      1_455  .     -1_566  n
  Li3       Ba4       Mn4              161.9(11)      1_455  .     -1_666  n
  Li3       Ba4       O1               27.48(15)      1_455  .     -1_566  n
  Li3       Ba4       O1              131.35(18)      1_455  .     -1_676  n
  Li3       Ba4       O1               27.48(15)      1_455  .     -2_456  n
  Li3       Ba4       O1              131.35(18)      1_455  .     -2_556  n
  Li3       Ba4       O1               86.77(15)      1_455  .     -3_656  n
  Li3       Ba4       O1               86.77(15)      1_455  .     -3_666  n
  Li3       Ba4       O3               88.60(14)      1_455  .      1_555  n
  Li3       Ba4       O3              155.02(18)      1_455  .      2_665  n
  Li3       Ba4       O3               88.60(14)      1_455  .      3_565  n
  Li3       Ba4       Li3             106.02(14)      1_555  .      1_565  n
  Li3       Ba4       Li4                64.6(5)      1_555  .     -1_556  n
  Li3       Ba4       Li4              161.9(11)      1_555  .     -1_566  n
  Li3       Ba4       Li4                64.6(5)      1_555  .     -1_666  n
  Li3       Ba4       Mn4                64.6(5)      1_555  .     -1_556  n
  Li3       Ba4       Mn4              161.9(11)      1_555  .     -1_566  n
  Li3       Ba4       Mn4                64.6(5)      1_555  .     -1_666  n
  Li3       Ba4       O1               86.77(15)      1_555  .     -1_566  n
  Li3       Ba4       O1               86.77(15)      1_555  .     -1_676  n
  Li3       Ba4       O1              131.35(18)      1_555  .     -2_456  n
  Li3       Ba4       O1               27.48(15)      1_555  .     -2_556  n
  Li3       Ba4       O1               27.48(15)      1_555  .     -3_656  n
  Li3       Ba4       O1              131.35(18)      1_555  .     -3_666  n
  Li3       Ba4       O3               88.60(14)      1_555  .      1_555  n
  Li3       Ba4       O3               88.60(14)      1_555  .      2_665  n
  Li3       Ba4       O3              155.02(18)      1_555  .      3_565  n
  Li3       Ba4       Li4              161.9(11)      1_565  .     -1_556  n
  Li3       Ba4       Li4                64.6(5)      1_565  .     -1_566  n
  Li3       Ba4       Li4                64.6(5)      1_565  .     -1_666  n
  Li3       Ba4       Mn4              161.9(11)      1_565  .     -1_556  n
  Li3       Ba4       Mn4                64.6(5)      1_565  .     -1_566  n
  Li3       Ba4       Mn4                64.6(5)      1_565  .     -1_666  n
  Li3       Ba4       O1              131.35(18)      1_565  .     -1_566  n
  Li3       Ba4       O1               27.48(15)      1_565  .     -1_676  n
  Li3       Ba4       O1               86.77(15)      1_565  .     -2_456  n
  Li3       Ba4       O1               86.77(15)      1_565  .     -2_556  n
  Li3       Ba4       O1              131.35(18)      1_565  .     -3_656  n
  Li3       Ba4       O1               27.48(15)      1_565  .     -3_666  n
  Li3       Ba4       O3              155.02(18)      1_565  .      1_555  n
  Li3       Ba4       O3               88.60(14)      1_565  .      2_665  n
  Li3       Ba4       O3               88.60(14)      1_565  .      3_565  n
  Li4       Ba4       Li4             119.37(29)     -1_556  .     -1_566  n
  Li4       Ba4       Li4             119.37(29)     -1_556  .     -1_666  n
  Li4       Ba4       Mn4                    0.0     -1_556  .     -1_556  n
  Li4       Ba4       Mn4             119.37(29)     -1_556  .     -1_566  n
  Li4       Ba4       Mn4             119.37(29)     -1_556  .     -1_666  n
  Li4       Ba4       O1                 37.2(6)     -1_556  .     -1_566  n
  Li4       Ba4       O1                151.2(4)     -1_556  .     -1_676  n
  Li4       Ba4       O1               88.77(30)     -1_556  .     -2_456  n
  Li4       Ba4       O1               88.77(30)     -1_556  .     -2_556  n
  Li4       Ba4       O1                 37.2(6)     -1_556  .     -3_656  n
  Li4       Ba4       O1                151.2(4)     -1_556  .     -3_666  n
  Li4       Ba4       O3                43.1(10)     -1_556  .      1_555  n
  Li4       Ba4       O3                106.0(8)     -1_556  .      2_665  n
  Li4       Ba4       O3                106.0(8)     -1_556  .      3_565  n
  Li4       Ba4       Li4             119.37(29)     -1_566  .     -1_666  n
  Li4       Ba4       Mn4             119.37(29)     -1_566  .     -1_556  n
  Li4       Ba4       Mn4                    0.0     -1_566  .     -1_566  n
  Li4       Ba4       Mn4             119.37(29)     -1_566  .     -1_666  n
  Li4       Ba4       O1               88.77(30)     -1_566  .     -1_566  n
  Li4       Ba4       O1               88.77(30)     -1_566  .     -1_676  n
  Li4       Ba4       O1                 37.2(6)     -1_566  .     -2_456  n
  Li4       Ba4       O1                151.2(4)     -1_566  .     -2_556  n
  Li4       Ba4       O1                151.2(4)     -1_566  .     -3_656  n
  Li4       Ba4       O1                 37.2(6)     -1_566  .     -3_666  n
  Li4       Ba4       O3                106.0(8)     -1_566  .      1_555  n
  Li4       Ba4       O3                106.0(8)     -1_566  .      2_665  n
  Li4       Ba4       O3                43.1(10)     -1_566  .      3_565  n
  Li4       Ba4       Mn4             119.37(29)     -1_666  .     -1_556  n
  Li4       Ba4       Mn4             119.37(29)     -1_666  .     -1_566  n
  Li4       Ba4       Mn4                    0.0     -1_666  .     -1_666  n
  Li4       Ba4       O1                151.2(4)     -1_666  .     -1_566  n
  Li4       Ba4       O1                 37.2(6)     -1_666  .     -1_676  n
  Li4       Ba4       O1                151.2(4)     -1_666  .     -2_456  n
  Li4       Ba4       O1                 37.2(6)     -1_666  .     -2_556  n
  Li4       Ba4       O1               88.77(30)     -1_666  .     -3_656  n
  Li4       Ba4       O1               88.77(30)     -1_666  .     -3_666  n
  Li4       Ba4       O3                106.0(8)     -1_666  .      1_555  n
  Li4       Ba4       O3                43.1(10)     -1_666  .      2_665  n
  Li4       Ba4       O3                106.0(8)     -1_666  .      3_565  n
  Mn4       Ba4       Mn4             119.37(29)     -1_556  .     -1_566  n
  Mn4       Ba4       Mn4             119.37(29)     -1_556  .     -1_666  n
  Mn4       Ba4       O1                 37.2(6)     -1_556  .     -1_566  n
  Mn4       Ba4       O1                151.2(4)     -1_556  .     -1_676  n
  Mn4       Ba4       O1               88.77(30)     -1_556  .     -2_456  n
  Mn4       Ba4       O1               88.77(30)     -1_556  .     -2_556  n
  Mn4       Ba4       O1                 37.2(6)     -1_556  .     -3_656  n
  Mn4       Ba4       O1                151.2(4)     -1_556  .     -3_666  n
  Mn4       Ba4       O3                43.1(10)     -1_556  .      1_555  n
  Mn4       Ba4       O3                106.0(8)     -1_556  .      2_665  n
  Mn4       Ba4       O3                106.0(8)     -1_556  .      3_565  n
  Mn4       Ba4       Mn4             119.37(29)     -1_566  .     -1_666  n
  Mn4       Ba4       O1               88.77(30)     -1_566  .     -1_566  n
  Mn4       Ba4       O1               88.77(30)     -1_566  .     -1_676  n
  Mn4       Ba4       O1                 37.2(6)     -1_566  .     -2_456  n
  Mn4       Ba4       O1                151.2(4)     -1_566  .     -2_556  n
  Mn4       Ba4       O1                151.2(4)     -1_566  .     -3_656  n
  Mn4       Ba4       O1                 37.2(6)     -1_566  .     -3_666  n
  Mn4       Ba4       O3                106.0(8)     -1_566  .      1_555  n
  Mn4       Ba4       O3                106.0(8)     -1_566  .      2_665  n
  Mn4       Ba4       O3                43.1(10)     -1_566  .      3_565  n
  Mn4       Ba4       O1                151.2(4)     -1_666  .     -1_566  n
  Mn4       Ba4       O1                 37.2(6)     -1_666  .     -1_676  n
  Mn4       Ba4       O1                151.2(4)     -1_666  .     -2_456  n
  Mn4       Ba4       O1                 37.2(6)     -1_666  .     -2_556  n
  Mn4       Ba4       O1               88.77(30)     -1_666  .     -3_656  n
  Mn4       Ba4       O1               88.77(30)     -1_666  .     -3_666  n
  Mn4       Ba4       O3                106.0(8)     -1_666  .      1_555  n
  Mn4       Ba4       O3                43.1(10)     -1_666  .      2_665  n
  Mn4       Ba4       O3                106.0(8)     -1_666  .      3_565  n
  O1        Ba4       O1              151.34(26)     -1_566  .     -1_676  n
  O1        Ba4       O1               53.34(31)     -1_566  .     -2_456  n
  O1        Ba4       O1              114.25(10)     -1_566  .     -2_556  n
  O1        Ba4       O1               62.67(30)     -1_566  .     -3_656  n
  O1        Ba4       O1              114.25(10)     -1_566  .     -3_666  n
  O1        Ba4       O3               68.27(19)     -1_566  .      1_555  n
  O1        Ba4       O3              139.37(15)     -1_566  .      2_665  n
  O1        Ba4       O3               98.79(13)     -1_566  .      3_565  n
  O1        Ba4       O1              114.25(10)     -1_676  .     -2_456  n
  O1        Ba4       O1               62.67(30)     -1_676  .     -2_556  n
  O1        Ba4       O1              114.25(10)     -1_676  .     -3_656  n
  O1        Ba4       O1               53.34(31)     -1_676  .     -3_666  n
  O1        Ba4       O3              139.37(15)     -1_676  .      1_555  n
  O1        Ba4       O3               68.27(19)     -1_676  .      2_665  n
  O1        Ba4       O3               98.79(13)     -1_676  .      3_565  n
  O1        Ba4       O1              151.34(26)     -2_456  .     -2_556  n
  O1        Ba4       O1              114.25(10)     -2_456  .     -3_656  n
  O1        Ba4       O1               62.67(30)     -2_456  .     -3_666  n
  O1        Ba4       O3               98.79(13)     -2_456  .      1_555  n
  O1        Ba4       O3              139.37(15)     -2_456  .      2_665  n
  O1        Ba4       O3               68.27(19)     -2_456  .      3_565  n
  O1        Ba4       O1               53.34(31)     -2_556  .     -3_656  n
  O1        Ba4       O1              114.25(10)     -2_556  .     -3_666  n
  O1        Ba4       O3               98.79(13)     -2_556  .      1_555  n
  O1        Ba4       O3               68.27(19)     -2_556  .      2_665  n
  O1        Ba4       O3              139.37(15)     -2_556  .      3_565  n
  O1        Ba4       O1              151.34(26)     -3_656  .     -3_666  n
  O1        Ba4       O3               68.27(19)     -3_656  .      1_555  n
  O1        Ba4       O3               98.79(13)     -3_656  .      2_665  n
  O1        Ba4       O3              139.37(15)     -3_656  .      3_565  n
  O1        Ba4       O3              139.37(15)     -3_666  .      1_555  n
  O1        Ba4       O3               98.79(13)     -3_666  .      2_665  n
  O1        Ba4       O3               68.27(19)     -3_666  .      3_565  n
  O3        Ba4       O3               71.28(22)      1_555  .      2_665  n
  O3        Ba4       O3               71.28(22)      1_555  .      3_565  n
  O3        Ba4       O3               71.28(22)      2_665  .      3_565  n
  Ba2       Mn1       Ba2             107.55(12)     -1_556  .     -1_566  n
  Ba2       Mn1       Ba2             107.55(12)     -1_556  .     -1_666  n
  Ba2       Mn1       Ba3               68.50(4)     -1_556  .     -1_556  n
  Ba2       Mn1       Ba3               68.50(4)     -1_556  .     -1_656  n
  Ba2       Mn1       Ba3             172.35(22)     -1_556  .     -1_666  n
  Ba2       Mn1       Mn2              68.67(11)     -1_556  .      1_555  n
  Ba2       Mn1       Li2              68.67(11)     -1_556  .      1_555  n
  Ba2       Mn1       Li4             111.33(11)     -1_556  .      1_555  n
  Ba2       Mn1       O2              116.90(33)     -1_556  .     -1_666  n
  Ba2       Mn1       O2                53.86(6)     -1_556  .     -2_456  n
  Ba2       Mn1       O2                53.87(6)     -1_556  .     -3_546  n
  Ba2       Mn1       O3               55.52(22)     -1_556  .     -1_556  n
  Ba2       Mn1       O3               126.14(5)     -1_556  .     -2_556  n
  Ba2       Mn1       O3               126.13(5)     -1_556  .     -3_556  n
  Ba2       Mn1       Ba2             107.55(12)     -1_566  .     -1_666  n
  Ba2       Mn1       Ba3               68.50(4)     -1_566  .     -1_556  n
  Ba2       Mn1       Ba3             172.35(22)     -1_566  .     -1_656  n
  Ba2       Mn1       Ba3               68.50(4)     -1_566  .     -1_666  n
  Ba2       Mn1       Mn2              68.67(11)     -1_566  .      1_555  n
  Ba2       Mn1       Li2              68.67(11)     -1_566  .      1_555  n
  Ba2       Mn1       Li4             111.33(11)     -1_566  .      1_555  n
  Ba2       Mn1       O2                53.86(6)     -1_566  .     -1_666  n
  Ba2       Mn1       O2                53.87(6)     -1_566  .     -2_456  n
  Ba2       Mn1       O2              116.90(33)     -1_566  .     -3_546  n
  Ba2       Mn1       O3               126.14(5)     -1_566  .     -1_556  n
  Ba2       Mn1       O3               126.13(5)     -1_566  .     -2_556  n
  Ba2       Mn1       O3               55.52(22)     -1_566  .     -3_556  n
  Ba2       Mn1       Ba3             172.35(22)     -1_666  .     -1_556  n
  Ba2       Mn1       Ba3               68.50(4)     -1_666  .     -1_656  n
  Ba2       Mn1       Ba3               68.50(4)     -1_666  .     -1_666  n
  Ba2       Mn1       Mn2              68.67(11)     -1_666  .      1_555  n
  Ba2       Mn1       Li2              68.67(11)     -1_666  .      1_555  n
  Ba2       Mn1       Li4             111.33(11)     -1_666  .      1_555  n
  Ba2       Mn1       O2                53.87(6)     -1_666  .     -1_666  n
  Ba2       Mn1       O2              116.90(33)     -1_666  .     -2_456  n
  Ba2       Mn1       O2                53.86(6)     -1_666  .     -3_546  n
  Ba2       Mn1       O3               126.13(5)     -1_666  .     -1_556  n
  Ba2       Mn1       O3               55.52(22)     -1_666  .     -2_556  n
  Ba2       Mn1       O3               126.14(5)     -1_666  .     -3_556  n
  Ba3       Mn1       Ba3              114.59(9)     -1_556  .     -1_656  n
  Ba3       Mn1       Ba3              114.59(9)     -1_556  .     -1_666  n
  Ba3       Mn1       Mn2             103.69(12)     -1_556  .      1_555  n
  Ba3       Mn1       Li2             103.69(12)     -1_556  .      1_555  n
  Ba3       Mn1       Li4              76.31(12)     -1_556  .      1_555  n
  Ba3       Mn1       O2              121.33(11)     -1_556  .     -1_666  n
  Ba3       Mn1       O2               55.45(24)     -1_556  .     -2_456  n
  Ba3       Mn1       O2              121.33(11)     -1_556  .     -3_546  n
  Ba3       Mn1       O3                57.67(5)     -1_556  .     -1_556  n
  Ba3       Mn1       O3                132.1(4)     -1_556  .     -2_556  n
  Ba3       Mn1       O3                57.67(5)     -1_556  .     -3_556  n
  Ba3       Mn1       Ba3              114.58(9)     -1_656  .     -1_666  n
  Ba3       Mn1       Mn2             103.68(12)     -1_656  .      1_555  n
  Ba3       Mn1       Li2             103.68(12)     -1_656  .      1_555  n
  Ba3       Mn1       Li4              76.32(12)     -1_656  .      1_555  n
  Ba3       Mn1       O2              121.33(11)     -1_656  .     -1_666  n
  Ba3       Mn1       O2              121.33(11)     -1_656  .     -2_456  n
  Ba3       Mn1       O2               55.45(24)     -1_656  .     -3_546  n
  Ba3       Mn1       O3                57.67(5)     -1_656  .     -1_556  n
  Ba3       Mn1       O3                57.67(5)     -1_656  .     -2_556  n
  Ba3       Mn1       O3                132.1(4)     -1_656  .     -3_556  n
  Ba3       Mn1       Mn2             103.68(12)     -1_666  .      1_555  n
  Ba3       Mn1       Li2             103.68(12)     -1_666  .      1_555  n
  Ba3       Mn1       Li4              76.32(12)     -1_666  .      1_555  n
  Ba3       Mn1       O2               55.45(24)     -1_666  .     -1_666  n
  Ba3       Mn1       O2              121.33(11)     -1_666  .     -2_456  n
  Ba3       Mn1       O2              121.33(11)     -1_666  .     -3_546  n
  Ba3       Mn1       O3                132.1(4)     -1_666  .     -1_556  n
  Ba3       Mn1       O3                57.67(5)     -1_666  .     -2_556  n
  Ba3       Mn1       O3                57.67(5)     -1_666  .     -3_556  n
  Mn2       Mn1       Li2                    0.0      1_555  .      1_555  n
  Mn2       Mn1       Li4                  180.0      1_555  .      1_555  n
  Mn2       Mn1       O2               48.23(27)      1_555  .     -1_666  n
  Mn2       Mn1       O2               48.23(27)      1_555  .     -2_456  n
  Mn2       Mn1       O2               48.23(27)      1_555  .     -3_546  n
  Mn2       Mn1       O3              124.18(26)      1_555  .     -1_556  n
  Mn2       Mn1       O3              124.18(26)      1_555  .     -2_556  n
  Mn2       Mn1       O3              124.18(26)      1_555  .     -3_556  n
  Li2       Mn1       Li4                  180.0      1_555  .      1_555  n
  Li2       Mn1       O2               48.23(27)      1_555  .     -1_666  n
  Li2       Mn1       O2               48.23(27)      1_555  .     -2_456  n
  Li2       Mn1       O2               48.23(27)      1_555  .     -3_546  n
  Li2       Mn1       O3              124.18(26)      1_555  .     -1_556  n
  Li2       Mn1       O3              124.18(26)      1_555  .     -2_556  n
  Li2       Mn1       O3              124.18(26)      1_555  .     -3_556  n
  Li4       Mn1       O2              131.77(27)      1_555  .     -1_666  n
  Li4       Mn1       O2              131.77(27)      1_555  .     -2_456  n
  Li4       Mn1       O2              131.77(27)      1_555  .     -3_546  n
  Li4       Mn1       O3               55.82(26)      1_555  .     -1_556  n
  Li4       Mn1       O3               55.82(26)      1_555  .     -2_556  n
  Li4       Mn1       O3               55.82(26)      1_555  .     -3_556  n
  O2        Mn1       O2                 80.5(4)     -1_666  .     -2_456  n
  O2        Mn1       O2                 80.5(4)     -1_666  .     -3_546  n
  O2        Mn1       O3                172.4(4)     -1_666  .     -1_556  n
  O2        Mn1       O3               93.77(25)     -1_666  .     -2_556  n
  O2        Mn1       O3               93.77(25)     -1_666  .     -3_556  n
  O2        Mn1       O2                 80.5(4)     -2_456  .     -3_546  n
  O2        Mn1       O3               93.77(25)     -2_456  .     -1_556  n
  O2        Mn1       O3                172.4(4)     -2_456  .     -2_556  n
  O2        Mn1       O3               93.77(25)     -2_456  .     -3_556  n
  O2        Mn1       O3               93.77(25)     -3_546  .     -1_556  n
  O2        Mn1       O3               93.77(25)     -3_546  .     -2_556  n
  O2        Mn1       O3                172.4(4)     -3_546  .     -3_556  n
  O3        Mn1       O3                 91.5(4)     -1_556  .     -2_556  n
  O3        Mn1       O3                 91.5(4)     -1_556  .     -3_556  n
  O3        Mn1       O3                 91.5(4)     -2_556  .     -3_556  n
  Ba2       Li1       Ba2             107.55(12)     -1_556  .     -1_566  n
  Ba2       Li1       Ba2             107.55(12)     -1_556  .     -1_666  n
  Ba2       Li1       Ba3               68.50(4)     -1_556  .     -1_556  n
  Ba2       Li1       Ba3               68.50(4)     -1_556  .     -1_656  n
  Ba2       Li1       Ba3             172.35(22)     -1_556  .     -1_666  n
  Ba2       Li1       Mn2              68.67(11)     -1_556  .      1_555  n
  Ba2       Li1       Li2              68.67(11)     -1_556  .      1_555  n
  Ba2       Li1       Li4             111.33(11)     -1_556  .      1_555  n
  Ba2       Li1       Mn4             111.33(11)     -1_556  .      1_555  n
  Ba2       Li1       O2              116.90(33)     -1_556  .     -1_666  n
  Ba2       Li1       O2                53.86(6)     -1_556  .     -2_456  n
  Ba2       Li1       O2                53.87(6)     -1_556  .     -3_546  n
  Ba2       Li1       O3               55.52(22)     -1_556  .     -1_556  n
  Ba2       Li1       O3               126.14(5)     -1_556  .     -2_556  n
  Ba2       Li1       O3               126.13(5)     -1_556  .     -3_556  n
  Ba2       Li1       Ba2             107.55(12)     -1_566  .     -1_666  n
  Ba2       Li1       Ba3               68.50(4)     -1_566  .     -1_556  n
  Ba2       Li1       Ba3             172.35(22)     -1_566  .     -1_656  n
  Ba2       Li1       Ba3               68.50(4)     -1_566  .     -1_666  n
  Ba2       Li1       Mn2              68.67(11)     -1_566  .      1_555  n
  Ba2       Li1       Li2              68.67(11)     -1_566  .      1_555  n
  Ba2       Li1       Li4             111.33(11)     -1_566  .      1_555  n
  Ba2       Li1       Mn4             111.33(11)     -1_566  .      1_555  n
  Ba2       Li1       O2                53.86(6)     -1_566  .     -1_666  n
  Ba2       Li1       O2                53.87(6)     -1_566  .     -2_456  n
  Ba2       Li1       O2              116.90(33)     -1_566  .     -3_546  n
  Ba2       Li1       O3               126.14(5)     -1_566  .     -1_556  n
  Ba2       Li1       O3               126.13(5)     -1_566  .     -2_556  n
  Ba2       Li1       O3               55.52(22)     -1_566  .     -3_556  n
  Ba2       Li1       Ba3             172.35(22)     -1_666  .     -1_556  n
  Ba2       Li1       Ba3               68.50(4)     -1_666  .     -1_656  n
  Ba2       Li1       Ba3               68.50(4)     -1_666  .     -1_666  n
  Ba2       Li1       Mn2              68.67(11)     -1_666  .      1_555  n
  Ba2       Li1       Li2              68.67(11)     -1_666  .      1_555  n
  Ba2       Li1       Li4             111.33(11)     -1_666  .      1_555  n
  Ba2       Li1       Mn4             111.33(11)     -1_666  .      1_555  n
  Ba2       Li1       O2                53.87(6)     -1_666  .     -1_666  n
  Ba2       Li1       O2              116.90(33)     -1_666  .     -2_456  n
  Ba2       Li1       O2                53.86(6)     -1_666  .     -3_546  n
  Ba2       Li1       O3               126.13(5)     -1_666  .     -1_556  n
  Ba2       Li1       O3               55.52(22)     -1_666  .     -2_556  n
  Ba2       Li1       O3               126.14(5)     -1_666  .     -3_556  n
  Ba3       Li1       Ba3              114.59(9)     -1_556  .     -1_656  n
  Ba3       Li1       Ba3              114.59(9)     -1_556  .     -1_666  n
  Ba3       Li1       Mn2             103.69(12)     -1_556  .      1_555  n
  Ba3       Li1       Li2             103.69(12)     -1_556  .      1_555  n
  Ba3       Li1       Li4              76.31(12)     -1_556  .      1_555  n
  Ba3       Li1       Mn4              76.31(12)     -1_556  .      1_555  n
  Ba3       Li1       O2              121.33(11)     -1_556  .     -1_666  n
  Ba3       Li1       O2               55.45(24)     -1_556  .     -2_456  n
  Ba3       Li1       O2              121.33(11)     -1_556  .     -3_546  n
  Ba3       Li1       O3                57.67(5)     -1_556  .     -1_556  n
  Ba3       Li1       O3                132.1(4)     -1_556  .     -2_556  n
  Ba3       Li1       O3                57.67(5)     -1_556  .     -3_556  n
  Ba3       Li1       Ba3              114.58(9)     -1_656  .     -1_666  n
  Ba3       Li1       Mn2             103.68(12)     -1_656  .      1_555  n
  Ba3       Li1       Li2             103.68(12)     -1_656  .      1_555  n
  Ba3       Li1       Li4              76.32(12)     -1_656  .      1_555  n
  Ba3       Li1       Mn4              76.32(12)     -1_656  .      1_555  n
  Ba3       Li1       O2              121.33(11)     -1_656  .     -1_666  n
  Ba3       Li1       O2              121.33(11)     -1_656  .     -2_456  n
  Ba3       Li1       O2               55.45(24)     -1_656  .     -3_546  n
  Ba3       Li1       O3                57.67(5)     -1_656  .     -1_556  n
  Ba3       Li1       O3                57.67(5)     -1_656  .     -2_556  n
  Ba3       Li1       O3                132.1(4)     -1_656  .     -3_556  n
  Ba3       Li1       Mn2             103.68(12)     -1_666  .      1_555  n
  Ba3       Li1       Li2             103.68(12)     -1_666  .      1_555  n
  Ba3       Li1       Li4              76.32(12)     -1_666  .      1_555  n
  Ba3       Li1       Mn4              76.32(12)     -1_666  .      1_555  n
  Ba3       Li1       O2               55.45(24)     -1_666  .     -1_666  n
  Ba3       Li1       O2              121.33(11)     -1_666  .     -2_456  n
  Ba3       Li1       O2              121.33(11)     -1_666  .     -3_546  n
  Ba3       Li1       O3                132.1(4)     -1_666  .     -1_556  n
  Ba3       Li1       O3                57.67(5)     -1_666  .     -2_556  n
  Ba3       Li1       O3                57.67(5)     -1_666  .     -3_556  n
  Mn2       Li1       Li2                    0.0      1_555  .      1_555  n
  Mn2       Li1       Li4                  180.0      1_555  .      1_555  n
  Mn2       Li1       Mn4                  180.0      1_555  .      1_555  n
  Mn2       Li1       O2               48.23(27)      1_555  .     -1_666  n
  Mn2       Li1       O2               48.23(27)      1_555  .     -2_456  n
  Mn2       Li1       O2               48.23(27)      1_555  .     -3_546  n
  Mn2       Li1       O3              124.18(26)      1_555  .     -1_556  n
  Mn2       Li1       O3              124.18(26)      1_555  .     -2_556  n
  Mn2       Li1       O3              124.18(26)      1_555  .     -3_556  n
  Li2       Li1       Li4                  180.0      1_555  .      1_555  n
  Li2       Li1       Mn4                  180.0      1_555  .      1_555  n
  Li2       Li1       O2               48.23(27)      1_555  .     -1_666  n
  Li2       Li1       O2               48.23(27)      1_555  .     -2_456  n
  Li2       Li1       O2               48.23(27)      1_555  .     -3_546  n
  Li2       Li1       O3              124.18(26)      1_555  .     -1_556  n
  Li2       Li1       O3              124.18(26)      1_555  .     -2_556  n
  Li2       Li1       O3              124.18(26)      1_555  .     -3_556  n
  Li4       Li1       Mn4                    0.0      1_555  .      1_555  n
  Li4       Li1       O2              131.77(27)      1_555  .     -1_666  n
  Li4       Li1       O2              131.77(27)      1_555  .     -2_456  n
  Li4       Li1       O2              131.77(27)      1_555  .     -3_546  n
  Li4       Li1       O3               55.82(26)      1_555  .     -1_556  n
  Li4       Li1       O3               55.82(26)      1_555  .     -2_556  n
  Li4       Li1       O3               55.82(26)      1_555  .     -3_556  n
  Mn4       Li1       O2              131.77(27)      1_555  .     -1_666  n
  Mn4       Li1       O2              131.77(27)      1_555  .     -2_456  n
  Mn4       Li1       O2              131.77(27)      1_555  .     -3_546  n
  Mn4       Li1       O3               55.82(26)      1_555  .     -1_556  n
  Mn4       Li1       O3               55.82(26)      1_555  .     -2_556  n
  Mn4       Li1       O3               55.82(26)      1_555  .     -3_556  n
  O2        Li1       O2                 80.5(4)     -1_666  .     -2_456  n
  O2        Li1       O2                 80.5(4)     -1_666  .     -3_546  n
  O2        Li1       O3                172.4(4)     -1_666  .     -1_556  n
  O2        Li1       O3               93.77(25)     -1_666  .     -2_556  n
  O2        Li1       O3               93.77(25)     -1_666  .     -3_556  n
  O2        Li1       O2                 80.5(4)     -2_456  .     -3_546  n
  O2        Li1       O3               93.77(25)     -2_456  .     -1_556  n
  O2        Li1       O3                172.4(4)     -2_456  .     -2_556  n
  O2        Li1       O3               93.77(25)     -2_456  .     -3_556  n
  O2        Li1       O3               93.77(25)     -3_546  .     -1_556  n
  O2        Li1       O3               93.77(25)     -3_546  .     -2_556  n
  O2        Li1       O3                172.4(4)     -3_546  .     -3_556  n
  O3        Li1       O3                 91.5(4)     -1_556  .     -2_556  n
  O3        Li1       O3                 91.5(4)     -1_556  .     -3_556  n
  O3        Li1       O3                 91.5(4)     -2_556  .     -3_556  n
  Ba2       Mn2       Ba2              108.55(5)      1_445  .      1_545  n
  Ba2       Mn2       Ba2              108.55(5)      1_445  .      1_555  n
  Ba2       Mn2       Ba2               71.45(5)      1_445  .     -1_556  n
  Ba2       Mn2       Ba2               71.45(5)      1_445  .     -1_566  n
  Ba2       Mn2       Ba2                  180.0      1_445  .     -1_666  n
  Ba2       Mn2       Mn1              110.38(5)      1_445  .      1_555  n
  Ba2       Mn2       Mn1               69.62(5)      1_445  .     -1_556  n
  Ba2       Mn2       Li1              110.38(5)      1_445  .      1_555  n
  Ba2       Mn2       Li1               69.62(5)      1_445  .     -1_556  n
  Ba2       Mn2       O2              54.276(26)      1_445  .      1_445  n
  Ba2       Mn2       O2              123.18(29)      1_445  .      2_655  n
  Ba2       Mn2       O2              54.273(26)      1_445  .      3_565  n
  Ba2       Mn2       O2             125.724(26)      1_445  .     -1_666  n
  Ba2       Mn2       O2               56.82(29)      1_445  .     -2_456  n
  Ba2       Mn2       O2             125.727(26)      1_445  .     -3_546  n
  Ba2       Mn2       Ba2              108.55(5)      1_545  .      1_555  n
  Ba2       Mn2       Ba2               71.45(5)      1_545  .     -1_556  n
  Ba2       Mn2       Ba2                  180.0      1_545  .     -1_566  n
  Ba2       Mn2       Ba2               71.45(5)      1_545  .     -1_666  n
  Ba2       Mn2       Mn1              110.38(5)      1_545  .      1_555  n
  Ba2       Mn2       Mn1               69.62(5)      1_545  .     -1_556  n
  Ba2       Mn2       Li1              110.38(5)      1_545  .      1_555  n
  Ba2       Mn2       Li1               69.62(5)      1_545  .     -1_556  n
  Ba2       Mn2       O2              54.272(26)      1_545  .      1_445  n
  Ba2       Mn2       O2              54.277(26)      1_545  .      2_655  n
  Ba2       Mn2       O2              123.18(29)      1_545  .      3_565  n
  Ba2       Mn2       O2             125.728(26)      1_545  .     -1_666  n
  Ba2       Mn2       O2             125.723(26)      1_545  .     -2_456  n
  Ba2       Mn2       O2               56.82(29)      1_545  .     -3_546  n
  Ba2       Mn2       Ba2                  180.0      1_555  .     -1_556  n
  Ba2       Mn2       Ba2               71.45(5)      1_555  .     -1_566  n
  Ba2       Mn2       Ba2               71.45(5)      1_555  .     -1_666  n
  Ba2       Mn2       Mn1              110.38(5)      1_555  .      1_555  n
  Ba2       Mn2       Mn1               69.62(5)      1_555  .     -1_556  n
  Ba2       Mn2       Li1              110.38(5)      1_555  .      1_555  n
  Ba2       Mn2       Li1               69.62(5)      1_555  .     -1_556  n
  Ba2       Mn2       O2              123.18(29)      1_555  .      1_445  n
  Ba2       Mn2       O2              54.272(26)      1_555  .      2_655  n
  Ba2       Mn2       O2              54.276(26)      1_555  .      3_565  n
  Ba2       Mn2       O2               56.82(29)      1_555  .     -1_666  n
  Ba2       Mn2       O2             125.728(26)      1_555  .     -2_456  n
  Ba2       Mn2       O2             125.724(26)      1_555  .     -3_546  n
  Ba2       Mn2       Ba2              108.55(5)     -1_556  .     -1_566  n
  Ba2       Mn2       Ba2              108.55(5)     -1_556  .     -1_666  n
  Ba2       Mn2       Mn1               69.62(5)     -1_556  .      1_555  n
  Ba2       Mn2       Mn1              110.38(5)     -1_556  .     -1_556  n
  Ba2       Mn2       Li1               69.62(5)     -1_556  .      1_555  n
  Ba2       Mn2       Li1              110.38(5)     -1_556  .     -1_556  n
  Ba2       Mn2       O2               56.82(29)     -1_556  .      1_445  n
  Ba2       Mn2       O2             125.728(26)     -1_556  .      2_655  n
  Ba2       Mn2       O2             125.724(26)     -1_556  .      3_565  n
  Ba2       Mn2       O2              123.18(29)     -1_556  .     -1_666  n
  Ba2       Mn2       O2              54.272(26)     -1_556  .     -2_456  n
  Ba2       Mn2       O2              54.276(26)     -1_556  .     -3_546  n
  Ba2       Mn2       Ba2              108.55(5)     -1_566  .     -1_666  n
  Ba2       Mn2       Mn1               69.62(5)     -1_566  .      1_555  n
  Ba2       Mn2       Mn1              110.38(5)     -1_566  .     -1_556  n
  Ba2       Mn2       Li1               69.62(5)     -1_566  .      1_555  n
  Ba2       Mn2       Li1              110.38(5)     -1_566  .     -1_556  n
  Ba2       Mn2       O2             125.728(26)     -1_566  .      1_445  n
  Ba2       Mn2       O2             125.723(26)     -1_566  .      2_655  n
  Ba2       Mn2       O2               56.82(29)     -1_566  .      3_565  n
  Ba2       Mn2       O2              54.272(26)     -1_566  .     -1_666  n
  Ba2       Mn2       O2              54.277(26)     -1_566  .     -2_456  n
  Ba2       Mn2       O2              123.18(29)     -1_566  .     -3_546  n
  Ba2       Mn2       Mn1               69.62(5)     -1_666  .      1_555  n
  Ba2       Mn2       Mn1              110.38(5)     -1_666  .     -1_556  n
  Ba2       Mn2       Li1               69.62(5)     -1_666  .      1_555  n
  Ba2       Mn2       Li1              110.38(5)     -1_666  .     -1_556  n
  Ba2       Mn2       O2             125.724(26)     -1_666  .      1_445  n
  Ba2       Mn2       O2               56.82(29)     -1_666  .      2_655  n
  Ba2       Mn2       O2             125.727(26)     -1_666  .      3_565  n
  Ba2       Mn2       O2              54.276(26)     -1_666  .     -1_666  n
  Ba2       Mn2       O2              123.18(29)     -1_666  .     -2_456  n
  Ba2       Mn2       O2              54.273(26)     -1_666  .     -3_546  n
  Mn1       Mn2       Mn1                  180.0      1_555  .     -1_556  n
  Mn1       Mn2       Li1                    0.0      1_555  .      1_555  n
  Mn1       Mn2       Li1                  180.0      1_555  .     -1_556  n
  Mn1       Mn2       O2              126.44(28)      1_555  .      1_445  n
  Mn1       Mn2       O2              126.44(28)      1_555  .      2_655  n
  Mn1       Mn2       O2              126.44(28)      1_555  .      3_565  n
  Mn1       Mn2       O2               53.56(28)      1_555  .     -1_666  n
  Mn1       Mn2       O2               53.56(28)      1_555  .     -2_456  n
  Mn1       Mn2       O2               53.56(28)      1_555  .     -3_546  n
  Mn1       Mn2       Li1                  180.0     -1_556  .      1_555  n
  Mn1       Mn2       Li1                    0.0     -1_556  .     -1_556  n
  Mn1       Mn2       O2               53.56(28)     -1_556  .      1_445  n
  Mn1       Mn2       O2               53.56(28)     -1_556  .      2_655  n
  Mn1       Mn2       O2               53.56(28)     -1_556  .      3_565  n
  Mn1       Mn2       O2              126.44(28)     -1_556  .     -1_666  n
  Mn1       Mn2       O2              126.44(28)     -1_556  .     -2_456  n
  Mn1       Mn2       O2              126.44(28)     -1_556  .     -3_546  n
  Li1       Mn2       Li1                  180.0      1_555  .     -1_556  n
  Li1       Mn2       O2              126.44(28)      1_555  .      1_445  n
  Li1       Mn2       O2              126.44(28)      1_555  .      2_655  n
  Li1       Mn2       O2              126.44(28)      1_555  .      3_565  n
  Li1       Mn2       O2               53.56(28)      1_555  .     -1_666  n
  Li1       Mn2       O2               53.56(28)      1_555  .     -2_456  n
  Li1       Mn2       O2               53.56(28)      1_555  .     -3_546  n
  Li1       Mn2       O2               53.56(28)     -1_556  .      1_445  n
  Li1       Mn2       O2               53.56(28)     -1_556  .      2_655  n
  Li1       Mn2       O2               53.56(28)     -1_556  .      3_565  n
  Li1       Mn2       O2              126.44(28)     -1_556  .     -1_666  n
  Li1       Mn2       O2              126.44(28)     -1_556  .     -2_456  n
  Li1       Mn2       O2              126.44(28)     -1_556  .     -3_546  n
  O2        Mn2       O2                 88.3(4)      1_445  .      2_655  n
  O2        Mn2       O2                 88.3(4)      1_445  .      3_565  n
  O2        Mn2       O2                   180.0      1_445  .     -1_666  n
  O2        Mn2       O2                 91.7(4)      1_445  .     -2_456  n
  O2        Mn2       O2                 91.7(4)      1_445  .     -3_546  n
  O2        Mn2       O2                 88.3(4)      2_655  .      3_565  n
  O2        Mn2       O2                 91.7(4)      2_655  .     -1_666  n
  O2        Mn2       O2                   180.0      2_655  .     -2_456  n
  O2        Mn2       O2                 91.7(4)      2_655  .     -3_546  n
  O2        Mn2       O2                 91.7(4)      3_565  .     -1_666  n
  O2        Mn2       O2                 91.7(4)      3_565  .     -2_456  n
  O2        Mn2       O2                   180.0      3_565  .     -3_546  n
  O2        Mn2       O2                 88.3(4)     -1_666  .     -2_456  n
  O2        Mn2       O2                 88.3(4)     -1_666  .     -3_546  n
  O2        Mn2       O2                 88.3(4)     -2_456  .     -3_546  n
  Ba2       Li2       Ba2              108.55(5)      1_445  .      1_545  n
  Ba2       Li2       Ba2              108.55(5)      1_445  .      1_555  n
  Ba2       Li2       Ba2               71.45(5)      1_445  .     -1_556  n
  Ba2       Li2       Ba2               71.45(5)      1_445  .     -1_566  n
  Ba2       Li2       Ba2                  180.0      1_445  .     -1_666  n
  Ba2       Li2       Mn1              110.38(5)      1_445  .      1_555  n
  Ba2       Li2       Mn1               69.62(5)      1_445  .     -1_556  n
  Ba2       Li2       Li1              110.38(5)      1_445  .      1_555  n
  Ba2       Li2       Li1               69.62(5)      1_445  .     -1_556  n
  Ba2       Li2       O2              54.276(26)      1_445  .      1_445  n
  Ba2       Li2       O2              123.18(29)      1_445  .      2_655  n
  Ba2       Li2       O2              54.273(26)      1_445  .      3_565  n
  Ba2       Li2       O2             125.724(26)      1_445  .     -1_666  n
  Ba2       Li2       O2               56.82(29)      1_445  .     -2_456  n
  Ba2       Li2       O2             125.727(26)      1_445  .     -3_546  n
  Ba2       Li2       Ba2              108.55(5)      1_545  .      1_555  n
  Ba2       Li2       Ba2               71.45(5)      1_545  .     -1_556  n
  Ba2       Li2       Ba2                  180.0      1_545  .     -1_566  n
  Ba2       Li2       Ba2               71.45(5)      1_545  .     -1_666  n
  Ba2       Li2       Mn1              110.38(5)      1_545  .      1_555  n
  Ba2       Li2       Mn1               69.62(5)      1_545  .     -1_556  n
  Ba2       Li2       Li1              110.38(5)      1_545  .      1_555  n
  Ba2       Li2       Li1               69.62(5)      1_545  .     -1_556  n
  Ba2       Li2       O2              54.272(26)      1_545  .      1_445  n
  Ba2       Li2       O2              54.277(26)      1_545  .      2_655  n
  Ba2       Li2       O2              123.18(29)      1_545  .      3_565  n
  Ba2       Li2       O2             125.728(26)      1_545  .     -1_666  n
  Ba2       Li2       O2             125.723(26)      1_545  .     -2_456  n
  Ba2       Li2       O2               56.82(29)      1_545  .     -3_546  n
  Ba2       Li2       Ba2                  180.0      1_555  .     -1_556  n
  Ba2       Li2       Ba2               71.45(5)      1_555  .     -1_566  n
  Ba2       Li2       Ba2               71.45(5)      1_555  .     -1_666  n
  Ba2       Li2       Mn1              110.38(5)      1_555  .      1_555  n
  Ba2       Li2       Mn1               69.62(5)      1_555  .     -1_556  n
  Ba2       Li2       Li1              110.38(5)      1_555  .      1_555  n
  Ba2       Li2       Li1               69.62(5)      1_555  .     -1_556  n
  Ba2       Li2       O2              123.18(29)      1_555  .      1_445  n
  Ba2       Li2       O2              54.272(26)      1_555  .      2_655  n
  Ba2       Li2       O2              54.276(26)      1_555  .      3_565  n
  Ba2       Li2       O2               56.82(29)      1_555  .     -1_666  n
  Ba2       Li2       O2             125.728(26)      1_555  .     -2_456  n
  Ba2       Li2       O2             125.724(26)      1_555  .     -3_546  n
  Ba2       Li2       Ba2              108.55(5)     -1_556  .     -1_566  n
  Ba2       Li2       Ba2              108.55(5)     -1_556  .     -1_666  n
  Ba2       Li2       Mn1               69.62(5)     -1_556  .      1_555  n
  Ba2       Li2       Mn1              110.38(5)     -1_556  .     -1_556  n
  Ba2       Li2       Li1               69.62(5)     -1_556  .      1_555  n
  Ba2       Li2       Li1              110.38(5)     -1_556  .     -1_556  n
  Ba2       Li2       O2               56.82(29)     -1_556  .      1_445  n
  Ba2       Li2       O2             125.728(26)     -1_556  .      2_655  n
  Ba2       Li2       O2             125.724(26)     -1_556  .      3_565  n
  Ba2       Li2       O2              123.18(29)     -1_556  .     -1_666  n
  Ba2       Li2       O2              54.272(26)     -1_556  .     -2_456  n
  Ba2       Li2       O2              54.276(26)     -1_556  .     -3_546  n
  Ba2       Li2       Ba2              108.55(5)     -1_566  .     -1_666  n
  Ba2       Li2       Mn1               69.62(5)     -1_566  .      1_555  n
  Ba2       Li2       Mn1              110.38(5)     -1_566  .     -1_556  n
  Ba2       Li2       Li1               69.62(5)     -1_566  .      1_555  n
  Ba2       Li2       Li1              110.38(5)     -1_566  .     -1_556  n
  Ba2       Li2       O2             125.728(26)     -1_566  .      1_445  n
  Ba2       Li2       O2             125.723(26)     -1_566  .      2_655  n
  Ba2       Li2       O2               56.82(29)     -1_566  .      3_565  n
  Ba2       Li2       O2              54.272(26)     -1_566  .     -1_666  n
  Ba2       Li2       O2              54.277(26)     -1_566  .     -2_456  n
  Ba2       Li2       O2              123.18(29)     -1_566  .     -3_546  n
  Ba2       Li2       Mn1               69.62(5)     -1_666  .      1_555  n
  Ba2       Li2       Mn1              110.38(5)     -1_666  .     -1_556  n
  Ba2       Li2       Li1               69.62(5)     -1_666  .      1_555  n
  Ba2       Li2       Li1              110.38(5)     -1_666  .     -1_556  n
  Ba2       Li2       O2             125.724(26)     -1_666  .      1_445  n
  Ba2       Li2       O2               56.82(29)     -1_666  .      2_655  n
  Ba2       Li2       O2             125.727(26)     -1_666  .      3_565  n
  Ba2       Li2       O2              54.276(26)     -1_666  .     -1_666  n
  Ba2       Li2       O2              123.18(29)     -1_666  .     -2_456  n
  Ba2       Li2       O2              54.273(26)     -1_666  .     -3_546  n
  Mn1       Li2       Mn1                  180.0      1_555  .     -1_556  n
  Mn1       Li2       Li1                    0.0      1_555  .      1_555  n
  Mn1       Li2       Li1                  180.0      1_555  .     -1_556  n
  Mn1       Li2       O2              126.44(28)      1_555  .      1_445  n
  Mn1       Li2       O2              126.44(28)      1_555  .      2_655  n
  Mn1       Li2       O2              126.44(28)      1_555  .      3_565  n
  Mn1       Li2       O2               53.56(28)      1_555  .     -1_666  n
  Mn1       Li2       O2               53.56(28)      1_555  .     -2_456  n
  Mn1       Li2       O2               53.56(28)      1_555  .     -3_546  n
  Mn1       Li2       Li1                  180.0     -1_556  .      1_555  n
  Mn1       Li2       Li1                    0.0     -1_556  .     -1_556  n
  Mn1       Li2       O2               53.56(28)     -1_556  .      1_445  n
  Mn1       Li2       O2               53.56(28)     -1_556  .      2_655  n
  Mn1       Li2       O2               53.56(28)     -1_556  .      3_565  n
  Mn1       Li2       O2              126.44(28)     -1_556  .     -1_666  n
  Mn1       Li2       O2              126.44(28)     -1_556  .     -2_456  n
  Mn1       Li2       O2              126.44(28)     -1_556  .     -3_546  n
  Li1       Li2       Li1                  180.0      1_555  .     -1_556  n
  Li1       Li2       O2              126.44(28)      1_555  .      1_445  n
  Li1       Li2       O2              126.44(28)      1_555  .      2_655  n
  Li1       Li2       O2              126.44(28)      1_555  .      3_565  n
  Li1       Li2       O2               53.56(28)      1_555  .     -1_666  n
  Li1       Li2       O2               53.56(28)      1_555  .     -2_456  n
  Li1       Li2       O2               53.56(28)      1_555  .     -3_546  n
  Li1       Li2       O2               53.56(28)     -1_556  .      1_445  n
  Li1       Li2       O2               53.56(28)     -1_556  .      2_655  n
  Li1       Li2       O2               53.56(28)     -1_556  .      3_565  n
  Li1       Li2       O2              126.44(28)     -1_556  .     -1_666  n
  Li1       Li2       O2              126.44(28)     -1_556  .     -2_456  n
  Li1       Li2       O2              126.44(28)     -1_556  .     -3_546  n
  O2        Li2       O2                 88.3(4)      1_445  .      2_655  n
  O2        Li2       O2                 88.3(4)      1_445  .      3_565  n
  O2        Li2       O2                   180.0      1_445  .     -1_666  n
  O2        Li2       O2                 91.7(4)      1_445  .     -2_456  n
  O2        Li2       O2                 91.7(4)      1_445  .     -3_546  n
  O2        Li2       O2                 88.3(4)      2_655  .      3_565  n
  O2        Li2       O2                 91.7(4)      2_655  .     -1_666  n
  O2        Li2       O2                   180.0      2_655  .     -2_456  n
  O2        Li2       O2                 91.7(4)      2_655  .     -3_546  n
  O2        Li2       O2                 91.7(4)      3_565  .     -1_666  n
  O2        Li2       O2                 91.7(4)      3_565  .     -2_456  n
  O2        Li2       O2                   180.0      3_565  .     -3_546  n
  O2        Li2       O2                 88.3(4)     -1_666  .     -2_456  n
  O2        Li2       O2                 88.3(4)     -1_666  .     -3_546  n
  O2        Li2       O2                 88.3(4)     -2_456  .     -3_546  n
  O1        Mn3       O1                105.2(4)     -1_666  .     -2_556  n
  O1        Mn3       O1                105.2(4)     -1_666  .     -3_656  n
  O1        Mn3       O4                113.4(4)     -1_666  .      1_556  n
  O1        Mn3       O1                105.2(4)     -2_556  .     -3_656  n
  O1        Mn3       O4                113.4(4)     -2_556  .      1_556  n
  O1        Mn3       O4                113.4(4)     -3_656  .      1_556  n
  Ba1       Li3       Ba1             103.18(15)      1_556  .      1_656  n
  Ba1       Li3       Ba1             103.18(15)      1_556  .      1_666  n
  Ba1       Li3       Ba3             115.21(13)      1_556  .      1_555  n
  Ba1       Li3       Ba4             75.364(20)      1_556  .      1_545  n
  Ba1       Li3       Ba4             75.364(20)      1_556  .      1_555  n
  Ba1       Li3       Ba4             177.53(25)      1_556  .      1_655  n
  Ba1       Li3       O1               125.76(7)      1_556  .     -1_666  n
  Ba1       Li3       O1               125.77(7)      1_556  .     -2_556  n
  Ba1       Li3       O1               48.64(27)      1_556  .     -3_656  n
  Ba1       Li3       O4               64.79(13)      1_556  .      1_556  n
  Ba1       Li3       Ba1             103.18(15)      1_656  .      1_666  n
  Ba1       Li3       Ba3             115.21(13)      1_656  .      1_555  n
  Ba1       Li3       Ba4             75.363(20)      1_656  .      1_545  n
  Ba1       Li3       Ba4             177.53(25)      1_656  .      1_555  n
  Ba1       Li3       Ba4             75.362(20)      1_656  .      1_655  n
  Ba1       Li3       O1               48.64(27)      1_656  .     -1_666  n
  Ba1       Li3       O1               125.76(7)      1_656  .     -2_556  n
  Ba1       Li3       O1               125.76(7)      1_656  .     -3_656  n
  Ba1       Li3       O4               64.79(13)      1_656  .      1_556  n
  Ba1       Li3       Ba3             115.21(13)      1_666  .      1_555  n
  Ba1       Li3       Ba4             177.53(25)      1_666  .      1_545  n
  Ba1       Li3       Ba4             75.364(20)      1_666  .      1_555  n
  Ba1       Li3       Ba4             75.363(20)      1_666  .      1_655  n
  Ba1       Li3       O1               125.76(7)      1_666  .     -1_666  n
  Ba1       Li3       O1               48.64(27)      1_666  .     -2_556  n
  Ba1       Li3       O1               125.77(7)      1_666  .     -3_656  n
  Ba1       Li3       O4               64.79(13)      1_666  .      1_556  n
  Ba3       Li3       Ba4              67.27(13)      1_555  .      1_545  n
  Ba3       Li3       Ba4              67.27(13)      1_555  .      1_555  n
  Ba3       Li3       Ba4              67.27(13)      1_555  .      1_655  n
  Ba3       Li3       O1                 66.6(4)      1_555  .     -1_666  n
  Ba3       Li3       O1                 66.6(4)      1_555  .     -2_556  n
  Ba3       Li3       O1                 66.6(4)      1_555  .     -3_656  n
  Ba3       Li3       O4                   180.0      1_555  .      1_556  n
  Ba4       Li3       Ba4             106.02(14)      1_545  .      1_555  n
  Ba4       Li3       Ba4             106.02(14)      1_545  .      1_655  n
  Ba4       Li3       O1               54.77(10)      1_545  .     -1_666  n
  Ba4       Li3       O1                133.8(5)      1_545  .     -2_556  n
  Ba4       Li3       O1               54.77(10)      1_545  .     -3_656  n
  Ba4       Li3       O4              112.73(13)      1_545  .      1_556  n
  Ba4       Li3       Ba4             106.02(14)      1_555  .      1_655  n
  Ba4       Li3       O1                133.8(5)      1_555  .     -1_666  n
  Ba4       Li3       O1               54.78(10)      1_555  .     -2_556  n
  Ba4       Li3       O1               54.77(10)      1_555  .     -3_656  n
  Ba4       Li3       O4              112.73(13)      1_555  .      1_556  n
  Ba4       Li3       O1               54.77(10)      1_655  .     -1_666  n
  Ba4       Li3       O1               54.77(10)      1_655  .     -2_556  n
  Ba4       Li3       O1                133.8(5)      1_655  .     -3_656  n
  Ba4       Li3       O4              112.73(13)      1_655  .      1_556  n
  O1        Li3       O1                105.2(4)     -1_666  .     -2_556  n
  O1        Li3       O1                105.2(4)     -1_666  .     -3_656  n
  O1        Li3       O4                113.4(4)     -1_666  .      1_556  n
  O1        Li3       O1                105.2(4)     -2_556  .     -3_656  n
  O1        Li3       O4                113.4(4)     -2_556  .      1_556  n
  O1        Li3       O4                113.4(4)     -3_656  .      1_556  n
  Ba1       Li4       Ba3               120.4(8)      1_555  .     -1_556  n
  Ba1       Li4       Ba3               120.4(8)      1_555  .     -1_656  n
  Ba1       Li4       Ba3               120.4(8)      1_555  .     -1_666  n
  Ba1       Li4       Ba4               85.4(10)      1_555  .     -1_556  n
  Ba1       Li4       Ba4               85.4(10)      1_555  .     -1_566  n
  Ba1       Li4       Ba4               85.4(10)      1_555  .     -1_666  n
  Ba1       Li4       Mn1                  180.0      1_555  .      1_555  n
  Ba1       Li4       Li1                  180.0      1_555  .      1_555  n
  Ba1       Li4       O1                60.9(15)      1_555  .      1_545  n
  Ba1       Li4       O1                60.9(15)      1_555  .      2_665  n
  Ba1       Li4       O1                60.9(15)      1_555  .      3_455  n
  Ba1       Li4       O3               139.1(10)      1_555  .     -1_556  n
  Ba1       Li4       O3               139.1(10)      1_555  .     -2_556  n
  Ba1       Li4       O3               139.1(10)      1_555  .     -3_556  n
  Ba3       Li4       Ba3               96.7(10)     -1_556  .     -1_656  n
  Ba3       Li4       Ba3               96.7(10)     -1_556  .     -1_666  n
  Ba3       Li4       Ba4              67.07(34)     -1_556  .     -1_556  n
  Ba3       Li4       Ba4              67.07(34)     -1_556  .     -1_566  n
  Ba3       Li4       Ba4              154.2(18)     -1_556  .     -1_666  n
  Ba3       Li4       Mn1                59.6(8)     -1_556  .      1_555  n
  Ba3       Li4       Li1                59.6(8)     -1_556  .      1_555  n
  Ba3       Li4       O1              128.51(25)     -1_556  .      1_545  n
  Ba3       Li4       O1              128.51(25)     -1_556  .      2_665  n
  Ba3       Li4       O1                 59.4(7)     -1_556  .      3_455  n
  Ba3       Li4       O3                 48.4(5)     -1_556  .     -1_556  n
  Ba3       Li4       O3               100.5(17)     -1_556  .     -2_556  n
  Ba3       Li4       O3                 48.4(5)     -1_556  .     -3_556  n
  Ba3       Li4       Ba3               96.7(10)     -1_656  .     -1_666  n
  Ba3       Li4       Ba4              67.07(34)     -1_656  .     -1_556  n
  Ba3       Li4       Ba4              154.2(18)     -1_656  .     -1_566  n
  Ba3       Li4       Ba4              67.07(34)     -1_656  .     -1_666  n
  Ba3       Li4       Mn1                59.6(8)     -1_656  .      1_555  n
  Ba3       Li4       Li1                59.6(8)     -1_656  .      1_555  n
  Ba3       Li4       O1                 59.4(7)     -1_656  .      1_545  n
  Ba3       Li4       O1              128.51(25)     -1_656  .      2_665  n
  Ba3       Li4       O1              128.51(25)     -1_656  .      3_455  n
  Ba3       Li4       O3                 48.4(5)     -1_656  .     -1_556  n
  Ba3       Li4       O3                 48.4(5)     -1_656  .     -2_556  n
  Ba3       Li4       O3               100.5(17)     -1_656  .     -3_556  n
  Ba3       Li4       Ba4              154.2(18)     -1_666  .     -1_556  n
  Ba3       Li4       Ba4              67.07(34)     -1_666  .     -1_566  n
  Ba3       Li4       Ba4              67.07(34)     -1_666  .     -1_666  n
  Ba3       Li4       Mn1                59.6(8)     -1_666  .      1_555  n
  Ba3       Li4       Li1                59.6(8)     -1_666  .      1_555  n
  Ba3       Li4       O1              128.51(25)     -1_666  .      1_545  n
  Ba3       Li4       O1                 59.4(7)     -1_666  .      2_665  n
  Ba3       Li4       O1              128.51(25)     -1_666  .      3_455  n
  Ba3       Li4       O3               100.5(17)     -1_666  .     -1_556  n
  Ba3       Li4       O3                 48.4(5)     -1_666  .     -2_556  n
  Ba3       Li4       O3                 48.4(5)     -1_666  .     -3_556  n
  Ba4       Li4       Ba4             119.37(29)     -1_556  .     -1_566  n
  Ba4       Li4       Ba4             119.37(29)     -1_556  .     -1_666  n
  Ba4       Li4       Mn1               94.6(10)     -1_556  .      1_555  n
  Ba4       Li4       Li1               94.6(10)     -1_556  .      1_555  n
  Ba4       Li4       O1               61.67(24)     -1_556  .      1_545  n
  Ba4       Li4       O1               146.3(25)     -1_556  .      2_665  n
  Ba4       Li4       O1               61.67(24)     -1_556  .      3_455  n
  Ba4       Li4       O3               53.70(19)     -1_556  .     -1_556  n
  Ba4       Li4       O3               112.8(12)     -1_556  .     -2_556  n
  Ba4       Li4       O3               112.7(12)     -1_556  .     -3_556  n
  Ba4       Li4       Ba4             119.37(29)     -1_566  .     -1_666  n
  Ba4       Li4       Mn1               94.6(10)     -1_566  .      1_555  n
  Ba4       Li4       Li1               94.6(10)     -1_566  .      1_555  n
  Ba4       Li4       O1               146.3(25)     -1_566  .      1_545  n
  Ba4       Li4       O1               61.67(24)     -1_566  .      2_665  n
  Ba4       Li4       O1               61.67(24)     -1_566  .      3_455  n
  Ba4       Li4       O3               112.8(12)     -1_566  .     -1_556  n
  Ba4       Li4       O3               112.7(12)     -1_566  .     -2_556  n
  Ba4       Li4       O3               53.70(19)     -1_566  .     -3_556  n
  Ba4       Li4       Mn1               94.6(10)     -1_666  .      1_555  n
  Ba4       Li4       Li1               94.6(10)     -1_666  .      1_555  n
  Ba4       Li4       O1               61.67(24)     -1_666  .      1_545  n
  Ba4       Li4       O1               61.67(24)     -1_666  .      2_665  n
  Ba4       Li4       O1               146.3(25)     -1_666  .      3_455  n
  Ba4       Li4       O3               112.7(12)     -1_666  .     -1_556  n
  Ba4       Li4       O3               53.70(19)     -1_666  .     -2_556  n
  Ba4       Li4       O3               112.8(12)     -1_666  .     -3_556  n
  Mn1       Li4       Li1                    0.0      1_555  .      1_555  n
  Mn1       Li4       O1               119.1(15)      1_555  .      1_545  n
  Mn1       Li4       O1               119.1(15)      1_555  .      2_665  n
  Mn1       Li4       O1               119.1(15)      1_555  .      3_455  n
  Mn1       Li4       O3                40.9(10)      1_555  .     -1_556  n
  Mn1       Li4       O3                40.9(10)      1_555  .     -2_556  n
  Mn1       Li4       O3                40.9(10)      1_555  .     -3_556  n
  Li1       Li4       O1               119.1(15)      1_555  .      1_545  n
  Li1       Li4       O1               119.1(15)      1_555  .      2_665  n
  Li1       Li4       O1               119.1(15)      1_555  .      3_455  n
  Li1       Li4       O3                40.9(10)      1_555  .     -1_556  n
  Li1       Li4       O3                40.9(10)      1_555  .     -2_556  n
  Li1       Li4       O3                40.9(10)      1_555  .     -3_556  n
  O1        Li4       O1                98.4(19)      1_545  .      2_665  n
  O1        Li4       O1                98.4(19)      1_545  .      3_455  n
  O1        Li4       O3                 94.7(6)      1_545  .     -1_556  n
  O1        Li4       O3                 94.7(6)      1_545  .     -2_556  n
  O1        Li4       O3               160.0(25)      1_545  .     -3_556  n
  O1        Li4       O1                98.4(19)      2_665  .      3_455  n
  O1        Li4       O3               160.0(25)      2_665  .     -1_556  n
  O1        Li4       O3                 94.7(6)      2_665  .     -2_556  n
  O1        Li4       O3                 94.7(6)      2_665  .     -3_556  n
  O1        Li4       O3                 94.7(6)      3_455  .     -1_556  n
  O1        Li4       O3               160.0(25)      3_455  .     -2_556  n
  O1        Li4       O3                 94.7(6)      3_455  .     -3_556  n
  O3        Li4       O3                69.1(16)     -1_556  .     -2_556  n
  O3        Li4       O3                69.1(16)     -1_556  .     -3_556  n
  O3        Li4       O3                69.1(16)     -2_556  .     -3_556  n
  Ba1       Mn4       Ba4               85.4(10)      1_555  .     -1_556  n
  Ba1       Mn4       Ba4               85.4(10)      1_555  .     -1_566  n
  Ba1       Mn4       Ba4               85.4(10)      1_555  .     -1_666  n
  Ba1       Mn4       Li1                  180.0      1_555  .      1_555  n
  Ba1       Mn4       O1                60.9(15)      1_555  .      1_545  n
  Ba1       Mn4       O1                60.9(15)      1_555  .      2_665  n
  Ba1       Mn4       O1                60.9(15)      1_555  .      3_455  n
  Ba4       Mn4       Ba4             119.37(29)     -1_556  .     -1_566  n
  Ba4       Mn4       Ba4             119.37(29)     -1_556  .     -1_666  n
  Ba4       Mn4       Li1               94.6(10)     -1_556  .      1_555  n
  Ba4       Mn4       O1               61.67(24)     -1_556  .      1_545  n
  Ba4       Mn4       O1               146.3(25)     -1_556  .      2_665  n
  Ba4       Mn4       O1               61.67(24)     -1_556  .      3_455  n
  Ba4       Mn4       Ba4             119.37(29)     -1_566  .     -1_666  n
  Ba4       Mn4       Li1               94.6(10)     -1_566  .      1_555  n
  Ba4       Mn4       O1               146.3(25)     -1_566  .      1_545  n
  Ba4       Mn4       O1               61.67(24)     -1_566  .      2_665  n
  Ba4       Mn4       O1               61.67(24)     -1_566  .      3_455  n
  Ba4       Mn4       Li1               94.6(10)     -1_666  .      1_555  n
  Ba4       Mn4       O1               61.67(24)     -1_666  .      1_545  n
  Ba4       Mn4       O1               61.67(24)     -1_666  .      2_665  n
  Ba4       Mn4       O1               146.3(25)     -1_666  .      3_455  n
  Li1       Mn4       O1               119.1(15)      1_555  .      1_545  n
  Li1       Mn4       O1               119.1(15)      1_555  .      2_665  n
  Li1       Mn4       O1               119.1(15)      1_555  .      3_455  n
  O1        Mn4       O1                98.4(19)      1_545  .      2_665  n
  O1        Mn4       O1                98.4(19)      1_545  .      3_455  n
  O1        Mn4       O1                98.4(19)      2_665  .      3_455  n
  Ba1       O1        Ba4              99.49(14)      1_565  .     -1_566  n
  Ba1       O1        Ba4              99.49(14)      1_565  .     -1_676  n
  Ba1       O1        Mn3               105.2(4)      1_565  .     -1_666  n
  Ba1       O1        Li3               105.2(4)      1_565  .     -1_666  n
  Ba1       O1        Li4               80.4(15)      1_565  .      1_565  n
  Ba1       O1        Mn4               80.4(15)      1_565  .      1_565  n
  Ba4       O1        Ba4             151.34(26)     -1_566  .     -1_676  n
  Ba4       O1        Mn3              97.75(18)     -1_566  .     -1_666  n
  Ba4       O1        Li3              97.75(18)     -1_566  .     -1_666  n
  Ba4       O1        Li4              81.11(33)     -1_566  .      1_565  n
  Ba4       O1        Mn4              81.11(33)     -1_566  .      1_565  n
  Ba4       O1        Mn3              97.75(18)     -1_676  .     -1_666  n
  Ba4       O1        Li3              97.75(18)     -1_676  .     -1_666  n
  Ba4       O1        Li4              81.11(33)     -1_676  .      1_565  n
  Ba4       O1        Mn4              81.11(33)     -1_676  .      1_565  n
  Mn3       O1        Li3                    0.0     -1_666  .     -1_666  n
  Mn3       O1        Li4              174.4(16)     -1_666  .      1_565  n
  Mn3       O1        Mn4              174.4(16)     -1_666  .      1_565  n
  Li3       O1        Li4              174.4(16)     -1_666  .      1_565  n
  Li3       O1        Mn4              174.4(16)     -1_666  .      1_565  n
  Li4       O1        Mn4                    0.0      1_565  .      1_565  n
  Ba2       O2        Ba2             174.41(34)      1_555  .      1_655  n
  Ba2       O2        Ba2              90.11(19)      1_555  .     -1_666  n
  Ba2       O2        Ba3              87.26(18)      1_555  .      1_555  n
  Ba2       O2        Mn1              90.45(18)      1_555  .     -1_666  n
  Ba2       O2        Li1              90.45(18)      1_555  .     -1_666  n
  Ba2       O2        Mn2              92.79(17)      1_555  .      1_665  n
  Ba2       O2        Li2              92.79(17)      1_555  .      1_665  n
  Ba2       O2        Ba2              90.11(19)      1_655  .     -1_666  n
  Ba2       O2        Ba3              87.27(18)      1_655  .      1_555  n
  Ba2       O2        Mn1              90.45(18)      1_655  .     -1_666  n
  Ba2       O2        Li1              90.45(18)      1_655  .     -1_666  n
  Ba2       O2        Mn2              92.80(17)      1_655  .      1_665  n
  Ba2       O2        Li2              92.80(17)      1_655  .      1_665  n
  Ba2       O2        Ba3             104.46(26)     -1_666  .      1_555  n
  Ba2       O2        Mn1               168.4(4)     -1_666  .     -1_666  n
  Ba2       O2        Li1               168.4(4)     -1_666  .     -1_666  n
  Ba2       O2        Mn2              90.20(35)     -1_666  .      1_665  n
  Ba2       O2        Li2              90.20(35)     -1_666  .      1_665  n
  Ba3       O2        Mn1              87.12(34)      1_555  .     -1_666  n
  Ba3       O2        Li1              87.12(34)      1_555  .     -1_666  n
  Ba3       O2        Mn2               165.3(5)      1_555  .      1_665  n
  Ba3       O2        Li2               165.3(5)      1_555  .      1_665  n
  Mn1       O2        Li1                    0.0     -1_666  .     -1_666  n
  Mn1       O2        Mn2              78.21(33)     -1_666  .      1_665  n
  Mn1       O2        Li2              78.21(33)     -1_666  .      1_665  n
  Li1       O2        Mn2              78.21(33)     -1_666  .      1_665  n
  Li1       O2        Li2              78.21(33)     -1_666  .      1_665  n
  Mn2       O2        Li2                    0.0      1_665  .      1_665  n
  Ba2       O3        Ba3              84.75(13)      1_555  .      1_455  n
  Ba2       O3        Ba3              84.75(13)      1_555  .      1_555  n
  Ba2       O3        Ba4              99.57(21)      1_555  .      1_555  n
  Ba2       O3        Mn1              93.96(30)      1_555  .     -1_556  n
  Ba2       O3        Li1              93.96(30)      1_555  .     -1_556  n
  Ba2       O3        Li4              177.3(10)      1_555  .     -1_556  n
  Ba3       O3        Ba3             169.50(26)      1_455  .      1_555  n
  Ba3       O3        Ba4              90.97(14)      1_455  .      1_555  n
  Ba3       O3        Mn1              90.26(14)      1_455  .     -1_556  n
  Ba3       O3        Li1              90.26(14)      1_455  .     -1_556  n
  Ba3       O3        Li4              95.24(13)      1_455  .     -1_556  n
  Ba3       O3        Ba4              90.97(14)      1_555  .      1_555  n
  Ba3       O3        Mn1              90.26(14)      1_555  .     -1_556  n
  Ba3       O3        Li1              90.26(14)      1_555  .     -1_556  n
  Ba3       O3        Li4              95.24(13)      1_555  .     -1_556  n
  Ba4       O3        Mn1               166.5(4)      1_555  .     -1_556  n
  Ba4       O3        Li1               166.5(4)      1_555  .     -1_556  n
  Ba4       O3        Li4               83.2(10)      1_555  .     -1_556  n
  Mn1       O3        Li1                    0.0     -1_556  .     -1_556  n
  Mn1       O3        Li4               83.3(11)     -1_556  .     -1_556  n
  Li1       O3        Li4               83.3(11)     -1_556  .     -1_556  n
  Ba4       O4        Mn3                  180.0     -1_666  .      1_554  n
  Ba4       O4        Li3                  180.0     -1_666  .      1_554  n
  Mn3       O4        Li3                    0.0      1_554  .      1_554  n

# Information for phase 2
data_BA4LIMN2O9_phase_2
_publcif_datablock.id '{ab5d5601-ca1e-457c-a262-882fda7e6054}'
loop_
_publcif_info_datablock.id
_publcif_info_datablock.publ_exptl
_publcif_info_datablock.publ_geom
_publcif_info_datablock.structure
'{ab5d5601-ca1e-457c-a262-882fda7e6054}' y y y

_pd_block_id
  2014-10-13T15:02|BA4LIMN2O9_phase2|Tyutyunnik||

# Histograms for phase 2
loop_   _pd_block_diffractogram_id
  2014-10-13T15:02|BA4LIMN2O9_H_01|Tyutyunnik|STADI-P
  2014-10-13T15:02|BA4LIMN2O9_H_03|Tyutyunnik|D7A

#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology      ?

_chemical_name_systematic         ?
_chemical_name_common             "Barium Carbonate"
_chemical_formula_moiety          ?
_chemical_formula_structural      "Ba C O3"
_chemical_formula_analytical      ?
_chemical_melting_point           ?
_chemical_compound_source         ?       # for minerals and
                                          # natural products
_symmetry_space_group_name_Hall   "-P m c n"

_exptl_crystal_F_000               ?
_exptl_crystal_density_diffrn      4.313
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      "not measured"

_cell_measurement_temperature     298(2)

_cell_special_details
?

_geom_special_details             ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution
"GSAS (A.C. Larson and R.B. Von Dreele, 2004), EXPGUI (Toby, B.H., 2001)"

#==============================================================================

# 8. Phase information from GSAS




_pd_phase_name                         "from C:/PCW/BaCO3.cel"
_cell_length_a                         5.3095(8)
_cell_length_b                         8.8981(14)
_cell_length_c                         6.4332(10)
_cell_angle_alpha                      90.0
_cell_angle_beta                       90.0
_cell_angle_gamma                      90.0
_cell_volume                           303.93(5)
_symmetry_cell_setting                 orthorhombic
_symmetry_space_group_name_H-M         "P m c n"
loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz
       1 +x,+y,+z 
       2 -x+1/2,+y,+z 
       3 +x,-y+1/2,+z+1/2 
       4 -x+1/2,-y+1/2,+z+1/2 
      -1 -x,-y,-z 
      -2 +x+1/2,-y,-z 
      -3 -x,+y+1/2,-z+1/2 
      -4 +x+1/2,+y+1/2,-z+1/2 

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
      _atom_site_type_symbol
      _atom_site_label
      _atom_site_fract_x
      _atom_site_fract_y
      _atom_site_fract_z
      _atom_site_occupancy
      _atom_site_thermal_displace_type
      _atom_site_U_iso_or_equiv
      _atom_site_symmetry_multiplicity
Ba
Ba      0.25         0.0837       0.2549       1.0        Uiso   0.025         4
C 
C       0.25         0.743        0.419        1.0        Uiso   0.025         4
O 
O1      0.25         0.5989       0.4122       1.0        Uiso   0.025         4
O 
O2      0.4595       0.6839      -0.079        1.0        Uiso   0.025         8

loop_ _atom_type_symbol
      _atom_type_number_in_cell
                   Ba  4.0        
                   O  12.0        
                   C   4.0        
 
# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum                  "C Ba O3"
_chemical_formula_weight               197.34
_cell_formula_units_Z                  4

# MOLECULAR GEOMETRY

loop_
      _geom_bond_atom_site_label_1
      _geom_bond_atom_site_label_2
      _geom_bond_distance
      _geom_bond_site_symmetry_1
      _geom_bond_site_symmetry_2
      _geom_bond_publ_flag
  Ba        Ba               4.3710(5)  .      3_554  n
  Ba        Ba               4.3710(5)  .      3_555  n
  Ba        Ba               4.4746(4)  .     -1_555  n
  Ba        Ba               4.3831(4)  .     -1_556  n
  Ba        Ba               4.4746(4)  .     -1_655  n
  Ba        Ba               4.3831(4)  .     -1_656  n
  Ba        C                3.2102(4)  .      1_545  n
  Ba        C              3.21067(34)  .     -3_545  n
  Ba        C              3.21067(34)  .     -3_645  n
  Ba        O1             2.73869(31)  .      3_554  n
  Ba        O1               2.8673(4)  .     -3_545  n
  Ba        O1               2.8673(4)  .     -3_645  n
  Ba        O2             2.83706(32)  .      3_555  n
  Ba        O2             2.83706(32)  .      4_555  n
  Ba        O2             2.81706(27)  .     -1_665  n
  Ba        O2             2.81706(27)  .     -2_465  n
  Ba        O2             2.74247(28)  .     -3_645  n
  Ba        O2             2.74247(28)  .     -4_445  n
  C         Ba               3.2102(4)  .      1_565  n
  C         Ba             3.21067(34)  .     -3_555  n
  C         Ba             3.21067(34)  .     -3_655  n
  C         O1             1.28297(20)  .      1_555  n
  C         O2             1.28862(15)  .      3_565  n
  C         O2             1.28862(15)  .      4_565  n
  O1        Ba             2.73869(31)  .      3_555  n
  O1        Ba               2.8673(4)  .     -3_555  n
  O1        Ba               2.8673(4)  .     -3_655  n
  O1        C              1.28297(20)  .      1_555  n
  O2        Ba             2.83706(32)  .      3_554  n
  O2        Ba             2.81706(27)  .     -1_665  n
  O2        Ba             2.74247(28)  .     -3_655  n
  O2        C              1.28862(15)  .      3_564  n

loop_
      _geom_angle_atom_site_label_1
      _geom_angle_atom_site_label_2
      _geom_angle_atom_site_label_3
      _geom_angle
      _geom_angle_site_symmetry_1
      _geom_angle_site_symmetry_2
      _geom_angle_site_symmetry_3
      _geom_angle_publ_flag
  Ba        Ba        Ba              94.767(12)      3_554  .      3_555  n
  Ba        Ba        Ba               71.701(9)      3_554  .     -1_555  n
  Ba        Ba        Ba              139.426(5)      3_554  .     -1_556  n
  Ba        Ba        Ba               71.701(9)      3_554  .     -1_655  n
  Ba        Ba        Ba              139.426(5)      3_554  .     -1_656  n
  Ba        Ba        O1              79.006(12)      3_554  .      3_554  n
  Ba        Ba        O1               72.071(4)      3_554  .     -3_445  n
  Ba        Ba        O1               72.071(4)      3_554  .     -3_545  n
  Ba        Ba        O2            147.7201(33)      3_554  .      3_555  n
  Ba        Ba        O2            147.7201(33)      3_554  .      4_555  n
  Ba        Ba        O2               37.567(4)      3_554  .     -1_665  n
  Ba        Ba        O2               37.567(4)      3_554  .     -2_565  n
  Ba        Ba        O2              109.837(9)      3_554  .     -3_656  n
  Ba        Ba        O2              109.837(9)      3_554  .     -4_556  n
  Ba        Ba        Ba              139.886(5)      3_555  .     -1_555  n
  Ba        Ba        Ba               72.580(9)      3_555  .     -1_556  n
  Ba        Ba        Ba              139.886(5)      3_555  .     -1_655  n
  Ba        Ba        Ba               72.580(9)      3_555  .     -1_656  n
  Ba        Ba        O1           173.77330(30)      3_555  .      3_554  n
  Ba        Ba        O1              104.120(4)      3_555  .     -3_445  n
  Ba        Ba        O1              104.120(4)      3_555  .     -3_545  n
  Ba        Ba        O2             106.924(10)      3_555  .      3_555  n
  Ba        Ba        O2             106.924(10)      3_555  .      4_555  n
  Ba        Ba        O2              78.380(10)      3_555  .     -1_665  n
  Ba        Ba        O2              78.380(10)      3_555  .     -2_565  n
  Ba        Ba        O2               38.776(5)      3_555  .     -3_656  n
  Ba        Ba        O2               38.776(5)      3_555  .     -4_556  n
  Ba        Ba        Ba              93.145(11)     -1_555  .     -1_556  n
  Ba        Ba        Ba              72.781(11)     -1_555  .     -1_655  n
  Ba        Ba        Ba              140.674(7)     -1_555  .     -1_656  n
  Ba        Ba        O1               38.047(5)     -1_555  .      3_554  n
  Ba        Ba        O1             36.0618(25)     -1_555  .     -3_445  n
  Ba        Ba        O1              106.871(9)     -1_555  .     -3_545  n
  Ba        Ba        O2              103.254(8)     -1_555  .      3_555  n
  Ba        Ba        O2               76.352(8)     -1_555  .      4_555  n
  Ba        Ba        O2              105.949(9)     -1_555  .     -1_665  n
  Ba        Ba        O2               67.982(8)     -1_555  .     -2_565  n
  Ba        Ba        O2           177.59621(10)     -1_555  .     -3_656  n
  Ba        Ba        O2             109.377(11)     -1_555  .     -4_556  n
  Ba        Ba        Ba              140.674(7)     -1_556  .     -1_655  n
  Ba        Ba        Ba              74.556(11)     -1_556  .     -1_656  n
  Ba        Ba        O1              112.183(9)     -1_556  .      3_554  n
  Ba        Ba        O1               74.038(9)     -1_556  .     -3_445  n
  Ba        Ba        O1            147.8382(18)     -1_556  .     -3_545  n
  Ba        Ba        O2               71.413(7)     -1_556  .      3_555  n
  Ba        Ba        O2             37.4687(15)     -1_556  .      4_555  n
  Ba        Ba        O2            150.4708(19)     -1_556  .     -1_665  n
  Ba        Ba        O2              101.938(9)     -1_556  .     -2_565  n
  Ba        Ba        O2              84.499(11)     -1_556  .     -3_656  n
  Ba        Ba        O2               38.999(7)     -1_556  .     -4_556  n
  Ba        Ba        Ba              93.145(11)     -1_655  .     -1_656  n
  Ba        Ba        O1               38.047(5)     -1_655  .      3_554  n
  Ba        Ba        O1              106.871(9)     -1_655  .     -3_445  n
  Ba        Ba        O1             36.0618(25)     -1_655  .     -3_545  n
  Ba        Ba        O2               76.352(8)     -1_655  .      3_555  n
  Ba        Ba        O2              103.254(8)     -1_655  .      4_555  n
  Ba        Ba        O2               67.982(8)     -1_655  .     -1_665  n
  Ba        Ba        O2              105.949(9)     -1_655  .     -2_565  n
  Ba        Ba        O2             109.377(11)     -1_655  .     -3_656  n
  Ba        Ba        O2           177.59610(10)     -1_655  .     -4_556  n
  Ba        Ba        O1              112.183(9)     -1_656  .      3_554  n
  Ba        Ba        O1            147.8382(18)     -1_656  .     -3_445  n
  Ba        Ba        O1               74.038(9)     -1_656  .     -3_545  n
  Ba        Ba        O2             37.4687(15)     -1_656  .      3_555  n
  Ba        Ba        O2               71.413(7)     -1_656  .      4_555  n
  Ba        Ba        O2              101.938(9)     -1_656  .     -1_665  n
  Ba        Ba        O2            150.4708(19)     -1_656  .     -2_565  n
  Ba        Ba        O2               38.999(7)     -1_656  .     -3_656  n
  Ba        Ba        O2              84.499(11)     -1_656  .     -4_556  n
  O1        Ba        O1               74.108(4)      3_554  .     -3_445  n
  O1        Ba        O1               74.108(4)      3_554  .     -3_545  n
  O1        Ba        O2              78.770(10)      3_554  .      3_555  n
  O1        Ba        O2              78.770(10)      3_554  .      4_555  n
  O1        Ba        O2               96.439(9)      3_554  .     -1_665  n
  O1        Ba        O2               96.439(9)      3_554  .     -2_565  n
  O1        Ba        O2              143.599(5)      3_554  .     -3_656  n
  O1        Ba        O2              143.599(5)      3_554  .     -4_556  n
  O1        Ba        O1              135.597(8)     -3_445  .     -3_545  n
  O1        Ba        O2              122.943(4)     -3_556  .      3_555  n
  O1        Ba        O2               79.502(6)     -3_556  .      4_555  n
  O1        Ba        O2              108.766(7)     -3_556  .     -1_665  n
  O1        Ba        O2               46.199(5)     -3_556  .     -2_565  n
  O1        Ba        O2            142.2239(23)     -3_556  .     -3_656  n
  O1        Ba        O2               75.462(9)     -3_556  .     -4_556  n
  O1        Ba        O2               79.502(6)     -3_656  .      3_555  n
  O1        Ba        O2              122.943(4)     -3_656  .      4_555  n
  O1        Ba        O2               46.199(5)     -3_656  .     -1_665  n
  O1        Ba        O2              108.766(7)     -3_656  .     -2_565  n
  O1        Ba        O2               75.462(9)     -3_656  .     -3_656  n
  O1        Ba        O2            142.2239(23)     -3_656  .     -4_556  n
  O2        Ba        O2               46.167(8)      3_555  .      4_555  n
  O2        Ba        O2              123.555(9)      3_555  .     -1_665  n
  O2        Ba        O2             169.1331(9)      3_555  .     -2_565  n
  O2        Ba        O2               76.468(8)      3_555  .     -3_656  n
  O2        Ba        O2              101.948(8)      3_555  .     -4_556  n
  O2        Ba        O2             169.1331(9)      4_555  .     -1_665  n
  O2        Ba        O2              123.555(9)      4_555  .     -2_565  n
  O2        Ba        O2              101.948(8)      4_555  .     -3_656  n
  O2        Ba        O2               76.468(8)      4_555  .     -4_556  n
  O2        Ba        O2              66.394(10)     -1_665  .     -2_565  n
  O2        Ba        O2               76.043(9)     -1_665  .     -3_656  n
  O2        Ba        O2              112.004(8)     -1_665  .     -4_556  n
  O2        Ba        O2              112.004(8)     -2_565  .     -3_656  n
  O2        Ba        O2               76.043(9)     -2_565  .     -4_556  n
  O2        Ba        O2              68.446(10)     -3_656  .     -4_556  n
  O1        C         O2              120.319(5)      1_555  .      3_565  n
  O1        C         O2              120.319(5)      1_555  .      4_565  n
  O2        C         O2             119.355(10)      3_565  .      4_565  n
  Ba        O1        Ba              105.892(4)      3_555  .     -3_466  n
  Ba        O1        Ba              105.892(4)      3_555  .     -3_566  n
  Ba        O1        C               124.436(6)      3_555  .      1_555  n
  Ba        O1        Ba              135.597(8)     -3_466  .     -3_566  n
  Ba        O1        C               93.4356(5)     -3_555  .      1_555  n
  Ba        O1        C               93.4356(5)     -3_655  .      1_555  n
  Ba        O2        Ba              132.803(8)      3_554  .     -1_665  n
  Ba        O2        Ba              103.532(8)      3_554  .     -3_566  n
  Ba        O2        C                94.672(9)      3_554  .      3_564  n
  Ba        O2        Ba              103.657(8)     -1_665  .     -3_566  n
  Ba        O2        C               95.628(10)     -1_665  .      3_564  n
  Ba        O2        C               131.084(5)     -3_655  .      3_564  n

# Powder diffraction data for histogram  1
data_BA4LIMN2O9_p_01
_publcif_datablock.id '{4a564065-ef08-4196-a26b-97daf1a9e635}'

_pd_block_id
  2014-10-13T15:02|BA4LIMN2O9_H_01|Tyutyunnik|STADI-P
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details
?

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions
?

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location
?
_pd_calibration_special_details           # description of the method used
                                          # to calibrate the instrument
"external Si standard"

_diffrn_ambient_temperature       298
_diffrn_source                    "sealed X-ray tube"
_diffrn_source_target             Cu
_diffrn_source_type               "PHILIPS PW 2283/20"
_diffrn_measurement_device_type   "transmission diffractometer Stadi-P (STOE)"
_diffrn_detector                  "position sensitive detector"
_diffrn_detector_type             "linear mini-PSD (STOE)"
       # make or model of detector

_pd_meas_scan_method              step       # options are 'step', 'cont',
                                          # 'tof', 'fixed' or
                                          # 'disp' (= dispersive)
_pd_meas_special_details
?

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection
"STOE Powder Software Package (STOE, Germany)"
_computing_data_reduction
"STOE Powder Software Package (STOE, Germany)"

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction      ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator   "Primary, curved Ge 111"

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono           260
_pd_instr_dist_mono/spec          130
_pd_instr_dist_src/spec           ?
_pd_instr_dist_spec/anal          ?
_pd_instr_dist_anal/detc          ?
_pd_instr_dist_spec/detc          220

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial               7       # perpendicular to
                                          # equatorial plane

_pd_spec_size_equat               0.1       # parallel to
                                          # scattering vector
                                          # in transmission

_pd_spec_size_thick               ?       # parallel to
                                          # scattering vector
                                          # in reflection

_pd_spec_mounting                         # This field should be
                                          # used to give details of the
                                          # container.
"powder on Mylar film"

_pd_spec_mount_mode               transmission       # options are 'reflection'
                                          # or 'transmission'

_pd_spec_shape                    flat_sheet       # options are 'cylinder'
                                          # 'flat_sheet' or 'irregular'






# phase table
loop_     _pd_phase_id
          _pd_phase_block_id
          _pd_phase_mass_%
          _pd_proc_ls_pref_orient_corr
          _pd_proc_ls_profile_function
          _pd_proc_ls_peak_cutoff
  1  2014-10-13T15:02|BA4LIMN2O9_phase1|Tyutyunnik||
           97.8
;   March-Dollase
 AXIS  1 Ratio=   1.05635  h= 0.000  k= 0.000  l= 1.000
;

;
 CW Profile function number 2 with  18 terms
 Profile coefficients for Simpson's rule integration of pseudovoigt function
 C.J. Howard (1982). J. Appl. Cryst.,15,615-620.
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 #1(GU)   =   10.798 #2(GV)   =  -12.975 #3(GW)   =   15.731
 #4(LX)   =    0.916 #5(LY)   =    4.707 #6(trns) =    0.000
 #7(asym) =   3.3167 #8(shft) =   0.0000 #9(GP)   =    0.000
 #10(stec)=     0.00 #11(ptec)=     0.00 #12(sfec)=     0.00
 #13(L11) =    0.000 #14(L22) =    0.000 #15(L33) =    0.000
 #16(L12) =    0.000 #17(L13) =    0.000 #18(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
           0.00100
  2  2014-10-13T15:02|BA4LIMN2O9_phase2|Tyutyunnik||
            2.20(7)
;   March-Dollase
 AXIS  1 Ratio=   1.00000  h= 0.000  k= 0.000  l= 1.000
;

;
 CW Profile function number 2 with  18 terms
 Profile coefficients for Simpson's rule integration of pseudovoigt function
 C.J. Howard (1982). J. Appl. Cryst.,15,615-620.
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 #1(GU)   =   10.798 #2(GV)   =  -12.975 #3(GW)   =   15.731
 #4(LX)   =    0.916 #5(LY)   =    4.707 #6(trns) =    0.000
 #7(asym) =   3.3167 #8(shft) =   1.7541 #9(GP)   =    0.000
 #10(stec)=     0.00 #11(ptec)=     0.00 #12(sfec)=     0.00
 #13(L11) =    0.000 #14(L22) =    0.000 #15(L33) =    0.000
 #16(L12) =    0.000 #17(L13) =    0.000 #18(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
           0.00100

loop_ _atom_type_symbol
      _atom_type_scat_dispersion_real
      _atom_type_scat_dispersion_imag
      _atom_type_scat_Cromer_Mann_a1
      _atom_type_scat_Cromer_Mann_a2
      _atom_type_scat_Cromer_Mann_a3
      _atom_type_scat_Cromer_Mann_a4
      _atom_type_scat_Cromer_Mann_b1
      _atom_type_scat_Cromer_Mann_b2
      _atom_type_scat_Cromer_Mann_b3
      _atom_type_scat_Cromer_Mann_b4
      _atom_type_scat_Cromer_Mann_c
      _atom_type_scat_source
  Ba    0.000    0.000
 20.3361 3.21600 19.2970 0.27560 10.8880 20.2073 2.69590 167.202 2.77310 
  International_Tables_Vol_C
  Mn    0.000    0.000
 11.2819 5.34090 7.35730 0.34320 3.01930 17.8674 2.24410 83.7543 1.08960 
  International_Tables_Vol_C
  Li    0.000    0.000
 1.12820 3.95460 0.75080 1.05240 0.61750 85.3905 0.46530 168.261 0.03770 
  International_Tables_Vol_C
  O    0.000    0.000
 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700 32.9089 0.25080 
  International_Tables_Vol_C
  C    0.000    0.000
 2.31000 20.8439 1.02000 10.2075 1.58860 0.56870 0.86500 51.6512 0.21560 
  International_Tables_Vol_C
_diffrn_radiation_probe                x-ray
_diffrn_radiation_polarisn_ratio       0.8
_diffrn_radiation_wavelength           1.54056
_diffrn_radiation_type                 'Cu Ka~1~'
_pd_proc_ls_prof_R_factor              0.0156
_pd_proc_ls_prof_wR_factor             0.0216
_pd_proc_ls_prof_wR_expected           0.0134
_refine_ls_R_Fsqd_factor               0.05370

_pd_proc_ls_background_function
;   GSAS Background function number 1 with 36 terms.
 Shifted Chebyshev function of 1st kind
      1:    5472.38     2:   -3131.67     3:    1209.51     4:   -708.491    
      5:    107.297     6:    103.970     7:   -151.396     8:    138.001    
      9:   -68.4351    10:   -1.37526    11:    35.0239    12:    5.71708    
     13:   -39.2488    14:    38.2241    15:    7.50760    16:   -39.1615    
     17:    37.0170    18:    7.82305    19:   -37.7634    20:    46.5014    
     21:   -3.79417    22:   -28.2994    23:    46.4328    24:   -52.7905    
     25:    42.6197    26:   -3.74512    27:   -24.8505    28:    48.3135    
     29:   -36.0992    30:    30.2486    31:    6.37756    32:   -20.3632    
     33:    36.2658    34:   -28.8952    35:    13.4414    36:   0.365203    
;

_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 4
 Flat plate transmission absorption correction
Terms =     0.78150E-01     0.0000    
Correction is refined.
;
_exptl_absorpt_correction_T_min        0.78006
_exptl_absorpt_correction_T_max        0.88640
# Extinction correction
_gsas_exptl_extinct_corr_T_min         1.00000
_gsas_exptl_extinct_corr_T_max         1.00000
_pd_proc_info_datetime                 2014-10-13T15:02:01
_pd_calc_method                        "Rietveld Refinement"

#---- raw/calc data loop -----
_pd_meas_2theta_range_min              2.0
_pd_meas_2theta_range_max              119.98
_pd_meas_2theta_range_inc              0.02
_pd_proc_2theta_range_min              1.96724
_pd_proc_2theta_range_max              119.94724
_pd_proc_2theta_range_inc              0.02

loop_
      _pd_meas_counts_total
      _pd_proc_ls_weight
      _pd_proc_intensity_bkg_calc
      _pd_calc_intensity_total
  10182.0    0.0000982   10247.91309   10247.92285
  10145.0    0.0000986   10226.29492   10226.30566
  10171.0    0.0000983   10207.19238   10207.20215
  10245.0    0.0000976   10190.41699   10190.42773
  10031.0    0.0000997   10175.79199   10175.80273
  10235.0    0.0000977   10163.14941   10163.15918
  10106.0    0.0000990   10152.33105   10152.34082
  10168.0    0.0000983   10143.18750   10143.19727
  10155.0    0.0000985   10135.57715   10135.58789
  10239.0    0.0000977   10129.36914   10129.37988
  10158.0    0.0000984   10124.43848   10124.44824
  10166.0    0.0000984   10120.66699   10120.67676
  10172.0    0.0000983   10117.94531   10117.95508
  10002.0    0.0001000   10116.16992   10116.17969
  10221.0    0.0000978   10115.24414   10115.25391
  10075.0    0.0000993   10115.07813   10115.08789
  10075.0    0.0000993   10115.58691   10115.59668
  10176.0    0.0000983   10116.69141   10116.70117
  10171.0    0.0000983   10118.31836   10118.32813
  10013.0    0.0000999   10120.39941   10120.40918
  10146.0    0.0000986   10122.87109   10122.88086
  10156.0    0.0000985   10125.67383   10125.68359
  10169.0    0.0000983   10128.75391   10128.76367
  10151.0    0.0000985   10132.06055   10132.06934
  10097.0    0.0000990   10135.54688   10135.55664
  10122.0    0.0000988   10139.17090   10139.17969
  10217.0    0.0000979   10142.89258   10142.90234
  10394.0    0.0000962   10146.67676   10146.68652
  10170.0    0.0000983   10150.49121   10150.50098
  10267.0    0.0000974   10154.30566   10154.31543
  10231.0    0.0000977   10158.09375   10158.10352
  10338.0    0.0000967   10161.83105   10161.83984
  10227.0    0.0000978   10165.49512   10165.50488
  10127.0    0.0000987   10169.06836   10169.07715
  10218.0    0.0000979   10172.53223   10172.54102
  10310.0    0.0000970   10175.87207   10175.88184
  10074.0    0.0000993   10179.07520   10179.08496
  10340.0    0.0000967   10182.12988   10182.13965
  10178.0    0.0000983   10185.02734   10185.03711
  10334.0    0.0000968   10187.75879   10187.76855
  9858.0     0.0001014   10190.31934   10190.32910
  9936.0     0.0001006   10192.70215   10192.71191
  10195.0    0.0000981   10194.90430   10194.91406
  10004.0    0.0001000   10196.92285   10196.93262
  10048.0    0.0000995   10198.75684   10198.76660
  10189.0    0.0000981   10200.40527   10200.41504
  10165.0    0.0000984   10201.86914   10201.87891
  10221.0    0.0000978   10203.14941   10203.15918
  9928.0     0.0001007   10204.24707   10204.25781
  10149.0    0.0000985   10205.16699   10205.17676
  10044.0    0.0000996   10205.91211   10205.92188
  10040.0    0.0000996   10206.48438   10206.49512
  10350.0    0.0000966   10206.89160   10206.90137
  10195.0    0.0000981   10207.13574   10207.14551
  10205.0    0.0000980   10207.22363   10207.23340
  10299.0    0.0000971   10207.16016   10207.16992
  10123.0    0.0000988   10206.95215   10206.96289
  10188.0    0.0000982   10206.60645   10206.61621
  10101.0    0.0000990   10206.12891   10206.13867
  10142.0    0.0000986   10205.52539   10205.53516
  10112.0    0.0000989   10204.80371   10204.81445
  10161.0    0.0000984   10203.97070   10203.98145
  10329.0    0.0000968   10203.03320   10203.04395
  10292.0    0.0000972   10201.99902   10202.00879
  10171.0    0.0000983   10200.87402   10200.88379
  10264.0    0.0000974   10199.66504   10199.67578
  10249.0    0.0000976   10198.38086   10198.39160
  10190.0    0.0000981   10197.02734   10197.03809
  10169.0    0.0000983   10195.61133   10195.62207
  10272.0    0.0000974   10194.14063   10194.15039
  10175.0    0.0000983   10192.62012   10192.62988
  9947.0     0.0001005   10191.05664   10191.06641
  10228.0    0.0000978   10189.45801   10189.46777
  10308.0    0.0000970   10187.83008   10187.83984
  10206.0    0.0000980   10186.17773   10186.18750
  10275.0    0.0000973   10184.50781   10184.51758
  10265.0    0.0000974   10182.82520   10182.83496
  10242.0    0.0000976   10181.13574   10181.14648
  10227.0    0.0000978   10179.44531   10179.45508
  10157.0    0.0000985   10177.75781   10177.76758
  10118.0    0.0000988   10176.07813   10176.08789
  10074.0    0.0000993   10174.41211   10174.42188
  10163.0    0.0000984   10172.76172   10172.77246
  10019.0    0.0000998   10171.13379   10171.14355
  10179.0    0.0000982   10169.53027   10169.54004
  10201.0    0.0000980   10167.95508   10167.96484
  10152.0    0.0000985   10166.41113   10166.42090
  10039.0    0.0000996   10164.90234   10164.91211
  10137.0    0.0000986   10163.43066   10163.44043
  10076.0    0.0000992   10162.00000   10162.00977
  10288.0    0.0000972   10160.61133   10160.62207
  10333.0    0.0000968   10159.26855   10159.27832
  10203.0    0.0000980   10157.97070   10157.98047
  10313.0    0.0000970   10156.72168   10156.73145
  10274.0    0.0000973   10155.52246   10155.53223
  10089.0    0.0000991   10154.37402   10154.38379
  9959.0     0.0001004   10153.27637   10153.28613
  10332.0    0.0000968   10152.23145   10152.24121
  10205.0    0.0000980   10151.24023   10151.24902
  10170.0    0.0000983   10150.30078   10150.31055
  10074.0    0.0000993   10149.41504   10149.42480
  10035.0    0.0000997   10148.58301   10148.59277
  10258.0    0.0000975   10147.80273   10147.81250
  10100.0    0.0000990   10147.07520   10147.08496
  10330.0    0.0000968   10146.39941   10146.40918
  10144.0    0.0000986   10145.77441   10145.78418
  10240.0    0.0000977   10145.19922   10145.20801
  10200.0    0.0000980   10144.67188   10144.68164
  10252.0    0.0000975   10144.19141   10144.20117
  10180.0    0.0000982   10143.75781   10143.76660
  10211.0    0.0000979   10143.36719   10143.37695
  10228.0    0.0000978   10143.01855   10143.02832
  10329.0    0.0000968   10142.71094   10142.72070
  10322.0    0.0000969   10142.44141   10142.45020
  10189.0    0.0000981   10142.20703   10142.21680
  10160.0    0.0000984   10142.00684   10142.01660
  10079.0    0.0000992   10141.83789   10141.84766
  10020.0    0.0000998   10141.69824   10141.70801
  10138.0    0.0000986   10141.58496   10145.42480
  10139.0    0.0000986   10141.49512   10145.53906
  10122.0    0.0000988   10141.42578   10145.69141
  10241.0    0.0000976   10141.37402   10145.87988
  10230.0    0.0000978   10141.33789   10146.10742
  10211.0    0.0000979   10141.31445   10146.36914
  10042.0    0.0000996   10141.29980   10146.66895
  9999.0     0.0001000   10141.29102   10147.00586
  10193.0    0.0000981   10141.28613   10147.38086
  10244.0    0.0000976   10141.28125   10147.79785
  10219.0    0.0000979   10141.27246   10148.25781
  10133.0    0.0000987   10141.25781   10148.76758
  10200.0    0.0000980   10141.23340   10149.33203
  10165.0    0.0000984   10141.19629   10149.95898
  10184.0    0.0000982   10141.14355   10150.66016
  10469.0    0.0000955   10141.07129   10151.45020
  10439.0    0.0000958   10140.97754   10152.35059
  10343.0    0.0000967   10140.85742   10153.38477
  10304.0    0.0000970   10140.70898   10154.59180
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  4809.0     0.0002079   3083.94263    4440.34033
  4434.0     0.0002255   3082.96948    4108.42920
  4002.0     0.0002499   3082.01318    3839.27124
  3794.0     0.0002636   3081.07495    3635.37573
  3509.0     0.0002850   3080.15430    3489.05396
  3390.0     0.0002950   3079.25220    3388.02417
  3373.0     0.0002965   3078.36816    3319.74902
  3229.0     0.0003097   3077.50342    3273.47119
  3306.0     0.0003025   3076.65723    3241.35913
  3205.0     0.0003120   3075.83057    3218.24976
  3154.0     0.0003171   3075.02344    3200.99805
  3204.0     0.0003121   3074.23560    3187.77197
  3154.0     0.0003171   3073.46777    3177.49023
  3224.0     0.0003102   3072.71997    3169.46509
  3171.0     0.0003154   3071.99219    3163.17603
  3195.0     0.0003130   3071.28467    3158.16138
  3159.0     0.0003166   3070.59741    3154.07007
  3139.0     0.0003186   3069.93066    3150.88184
  3066.0     0.0003262   3069.28442    3149.10156
  3146.0     0.0003179   3068.65869    3149.66333
  3047.0     0.0003282   3068.05322    3153.74634
  3131.0     0.0003194   3067.46826    3162.59033
  3284.0     0.0003045   3066.90356    3177.30249
  3156.0     0.0003169   3066.35962    3198.50049
  3179.0     0.0003146   3065.83569    3225.86987
  3347.0     0.0002988   3065.33203    3257.50122
  3309.0     0.0003022   3064.84814    3289.12280
  3408.0     0.0002934   3064.38379    3313.51221
  3289.0     0.0003040   3063.93945    3322.09399
  3298.0     0.0003032   3063.51416    3311.12524
  3232.0     0.0003094   3063.10791    3284.28882
  3208.0     0.0003117   3062.72021    3249.89404
  3257.0     0.0003070   3062.35107    3215.21069
  3320.0     0.0003012   3061.99976    3184.53735
  3149.0     0.0003176   3061.66626    3159.67871
  3077.0     0.0003250   3061.34961    3140.74146
  3110.0     0.0003215   3061.04980    3126.78955
  3104.0     0.0003222   3060.76611    3116.48340
  3068.0     0.0003259   3060.49780    3108.68628
  3060.0     0.0003268   3060.24463    3102.68774
  3129.0     0.0003196   3060.00562    3098.08423
  3045.0     0.0003284   3059.78052    3094.61035
  3071.0     0.0003256   3059.56836    3092.05786
  3121.0     0.0003204   3059.36841    3090.23389
  3083.0     0.0003244   3059.17993    3088.92090
  3078.0     0.0003249   3059.00220    3087.85547
  3112.0     0.0003213   3058.83423    3086.78857
  3012.0     0.0003320   3058.67505    3085.60889
  3111.0     0.0003214   3058.52417    3084.38770
  3124.0     0.0003201   3058.38013    3083.29102
  3024.0     0.0003307   3058.24219    3082.46387
  3002.0     0.0003331   3058.10913    3082.02002
  3115.0     0.0003210   3057.97998    3082.06470
  3124.0     0.0003201   3057.85352    3082.73633
  3134.0     0.0003191   3057.72876    3084.25903
  3098.0     0.0003228   3057.60449    3086.99219
  3173.0     0.0003152   3057.47925    3091.47510
  3095.0     0.0003231   3057.35205    3098.42847
  3014.0     0.0003318   3057.22144    3108.65503
  3114.0     0.0003211   3057.08618    3122.96631
  3113.0     0.0003212   3056.94458    3141.75220
  3117.0     0.0003208   3056.79590    3165.03833
  3067.0     0.0003261   3056.63794    3190.71777
  3214.0     0.0003111   3056.46997    3215.83081
  3243.0     0.0003084   3056.28979    3235.22046
  3256.0     0.0003071   3056.09644    3242.94751
  3318.0     0.0003014   3055.88794    3235.87793
  3235.0     0.0003091   3055.66333    3216.43384
  3245.0     0.0003082   3055.42041    3190.55591
  3145.0     0.0003180   3055.15796    3163.76782
  3117.0     0.0003208   3054.87402    3139.50269
  3148.0     0.0003177   3054.56738    3119.35254
  3177.0     0.0003148   3054.23608    3103.67407
  3107.0     0.0003219   3053.87866    3092.07593
  3004.0     0.0003329   3053.49341    3083.78955
  3084.0     0.0003243   3053.07886    3077.95264
  3114.0     0.0003211   3052.63306    3073.79907
  3087.0     0.0003239   3052.15405    3070.73730
  3099.0     0.0003227   3051.64087    3068.36084
  3059.0     0.0003269   3051.09180    3066.40869
  3030.0     0.0003300   3050.50488    3064.72803
  3179.0     0.0003146   3049.87866    3063.22290
  3153.0     0.0003172   3049.21191    3061.84058
  3037.0     0.0003293   3048.50244    3060.54761
  3082.0     0.0003245   3047.74976    3059.31787
  2944.0     0.0003397   3046.95142    3058.13770
  3046.0     0.0003283   3046.10645    3056.99341
  2998.0     0.0003336   3045.21411    3055.87793
  3068.0     0.0003259   3044.27197    3054.78418
  3042.0     0.0003287   3043.27979    3053.70996
  3086.0     0.0003240   3042.23584    3052.65430
  3021.0     0.0003310   3041.13989    3051.61841
  2961.0     0.0003377   3039.98999    3050.60742
  3055.0     0.0003273   3038.78638    3049.62891
  3070.0     0.0003257   3037.52783    3048.69482
  3002.0     0.0003331   3036.21338    3047.82715
  3110.0     0.0003215   3034.84351    3047.06226
  3073.0     0.0003254   3033.41675    3046.40894
  3076.0     0.0003251   3031.93433    3046.07178
  3070.0     0.0003257   3030.39502    3046.17065
  3061.0     0.0003267   3028.80029    3046.97925
  3080.0     0.0003247   3027.14966    3048.88647
  2988.0     0.0003347   3025.44336    3052.40283
  3135.0     0.0003190   3023.68359    3058.10425
  3107.0     0.0003219   3021.86987    3066.51807
  3071.0     0.0003256   3020.00513    3077.93994
  3025.0     0.0003306   3018.08911    3092.19580
  2956.0     0.0003383   3016.12549    3108.35352
  3092.0     0.0003234   3014.11499    3124.31519
  3139.0     0.0003186   3012.06128    3136.56445
  3117.0     0.0003208   3009.96680    3139.69629
  3064.0     0.0003264   3007.83350    3133.63501
  3217.0     0.0003108   3005.66699    3119.89624
  3135.0     0.0003190   3003.46924    3102.03174
  3057.0     0.0003271   3001.24634    3083.88745
  3044.0     0.0003285   2999.00146    3067.82056
  3070.0     0.0003257   2996.74170    3054.83936
  2962.0     0.0003376   2994.47070    3044.92383
  3054.0     0.0003274   2992.19653    3037.29419
  3016.0     0.0003316   2989.92529    3030.74731
  3052.0     0.0003277   2987.66357    3024.24707
  3058.0     0.0003270   2985.42090    3017.44141
  2978.0     0.0003358   2983.20386    3010.57544
  3051.0     0.0003278   2981.02393    3004.04297
  3012.0     0.0003320   2978.88892    2998.11597
  3075.0     0.0003252   2976.81128    2992.92285
  3039.0     0.0003291   2974.80151    2988.48682
  2988.0     0.0003347   2972.87085    2984.76538
  3015.0     0.0003317   2971.03418    2981.68628
  2982.0     0.0003353   2969.30347    2979.17456
  2941.0     0.0003400   2967.69531    2977.16895
  3097.0     0.0003229   2966.22339    2975.65430
  2921.0     0.0003423   2964.90625    2974.62012
  2899.0     0.0003449   2963.76025    2974.07324
  3031.0     0.0003299   2962.80493    2973.99658
  2943.0     0.0003398   2962.05957    2974.35156
  3026.0     0.0003305   2961.54541    2975.02881
  2978.0     0.0003358   2961.28491    2975.82666
  2945.0     0.0003396   2961.30127    2976.58423
  2959.0     0.0003380   2961.61890    2976.87305
  3023.0     0.0003308   2962.26514    2976.85059
  2960.0     0.0003378   2963.26636    2976.78784
  2909.0     0.0003438   2964.65283    2976.82813
  2920.0     0.0003425   2966.45361    2977.56250
  3065.0     0.0003263   2968.70190    2978.95850
  3000.0     0.0003333   2971.43237    2981.09717
  2918.0     0.0003427   2974.67871    2984.08862
  2982.0     0.0003353   2978.48071    2987.80200
  3022.0     0.0003309   2982.87500    2992.31494
  3052.0     0.0003277   2987.90625    2997.63647
  3005.0     0.0003328   2993.61353    3003.77686
  2977.0     0.0003359   3000.04395    3010.75342
  2965.0     0.0003373   3007.24854    3018.62085
  2998.0     0.0003336   3015.27124    3027.41870
  3040.0     0.0003289   3024.16992    3037.20459
  3056.0     0.0003272   3033.99341    3048.02051
  3075.0     0.0003252   3044.80566    3059.91650
  3107.0     0.0003219   3056.65820    3072.94775
  3084.0    .            .             .
_pd_meas_number_of_points              5900
_pd_proc_number_of_points              5900

_reflns_number_total                   571
_reflns_limit_h_min                    0
_reflns_limit_h_max                    6
_reflns_limit_k_min                    0
_reflns_limit_k_max                    10
_reflns_limit_l_min                    -18
_reflns_limit_l_max                    19
_reflns_d_resolution_high              0.890
_reflns_d_resolution_low               16.747

# Powder diffraction data for histogram  3
data_BA4LIMN2O9_p_03
_publcif_datablock.id '{25a9826c-3f24-464c-833b-ab6275b19658}'

_pd_block_id
  2014-10-13T15:02|BA4LIMN2O9_H_03|Tyutyunnik|D7A
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details
?

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions
?

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location
?
_pd_calibration_special_details           # description of the method used
                                          # to calibrate the instrument
?

_diffrn_ambient_temperature       298
_diffrn_source                    'nuclear reactor'
_diffrn_source_target             ?
_diffrn_source_type               'IVV 2M reactor (Zarechny, Russia)'
_diffrn_measurement_device_type   'D7A'
_diffrn_detector                  'scintillation counter'
_diffrn_detector_type             ?       # make or model of detector

_pd_meas_scan_method              ?       # options are 'step', 'cont',
                                          # 'tof', 'fixed' or
                                          # 'disp' (= dispersive)
_pd_meas_special_details
?

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection        ?
_computing_data_reduction         ?

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction      ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator   "Primary Ge 111"

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono           ?
_pd_instr_dist_mono/spec          ?
_pd_instr_dist_src/spec           ?
_pd_instr_dist_spec/anal          ?
_pd_instr_dist_anal/detc          ?
_pd_instr_dist_spec/detc          ?

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial               ?       # perpendicular to
                                          # equatorial plane

_pd_spec_size_equat               ?       # parallel to
                                          # scattering vector
                                          # in transmission

_pd_spec_size_thick               ?       # parallel to
                                          # scattering vector
                                          # in reflection

_pd_spec_mounting                         # This field should be
                                          # used to give details of the
                                          # container.
?

_pd_spec_mount_mode               transmission       # options are 'reflection'
                                          # or 'transmission'

_pd_spec_shape                    cylinder       # options are 'cylinder'
                                          # 'flat_sheet' or 'irregular'


# phase table
loop_     _pd_phase_id
          _pd_phase_block_id
          _pd_phase_mass_%
          _pd_proc_ls_profile_function
          _pd_proc_ls_peak_cutoff
  1  2014-10-13T15:02|BA4LIMN2O9_phase1|Tyutyunnik||
           97.36
;
 CW Profile function number 2 with  18 terms
 Profile coefficients for Simpson's rule integration of pseudovoigt function
 C.J. Howard (1982). J. Appl. Cryst.,15,615-620.
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 #1(GU)   =  221.583 #2(GV)   =   -0.100 #3(GW)   =  123.510
 #4(LX)   =    2.350 #5(LY)   =    0.000 #6(trns) =    0.000
 #7(asym) =  31.4995 #8(shft) =   1.7541 #9(GP)   =    0.000
 #10(stec)=     0.00 #11(ptec)=     0.00 #12(sfec)=     0.00
 #13(L11) =    0.000 #14(L22) =    0.000 #15(L33) =    0.000
 #16(L12) =    0.000 #17(L13) =    0.000 #18(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
           0.00100
  2  2014-10-13T15:02|BA4LIMN2O9_phase2|Tyutyunnik||
            2.64(28)
;
 CW Profile function number 2 with  18 terms
 Profile coefficients for Simpson's rule integration of pseudovoigt function
 C.J. Howard (1982). J. Appl. Cryst.,15,615-620.
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 #1(GU)   =  221.583 #2(GV)   =   -0.100 #3(GW)   =  123.510
 #4(LX)   =    2.350 #5(LY)   =    0.000 #6(trns) =    0.000
 #7(asym) =  31.4995 #8(shft) =   1.7541 #9(GP)   =    0.000
 #10(stec)=     0.00 #11(ptec)=     0.00 #12(sfec)=     0.00
 #13(L11) =    0.000 #14(L22) =    0.000 #15(L33) =    0.000
 #16(L12) =    0.000 #17(L13) =    0.000 #18(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
           0.00100

loop_ _atom_type_symbol
      _atom_type_scat_length_neutron
      _atom_type_scat_source
  Ba   0.5070
  International_Tables_Vol_C
  Mn  -0.3750
  International_Tables_Vol_C
  Li  -0.1900
  International_Tables_Vol_C
  O   0.5805
  International_Tables_Vol_C
  C   0.6648
  International_Tables_Vol_C
_diffrn_radiation_probe                neutron
_diffrn_radiation_wavelength           1.526519
_pd_proc_ls_prof_R_factor              0.0211
_pd_proc_ls_prof_wR_factor             0.0275
_pd_proc_ls_prof_wR_expected           0.0150
_refine_ls_R_Fsqd_factor               0.14814

_pd_proc_ls_background_function
;   GSAS Background function number 1 with 25 terms.
 Shifted Chebyshev function of 1st kind
      1:    4481.49     2:   -49.3631     3:    835.307     4:   -123.874    
      5:    126.275     6:    3.06934     7:    88.8368     8:   -67.8086    
      9:    9.94899    10:    38.6192    11:  -0.664896    12:   -10.7025    
     13:   -1.86471    14:   -41.0363    15:   -12.6143    16:   -3.58971    
     17:   -13.4782    18:    12.1217    19:    1.09702    20:   -22.4219    
     21:    35.4620    22:   -8.28708    23:    3.02905    24:    13.2221    
     25:    6.45070    
;

_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min        1.00000
_exptl_absorpt_correction_T_max        1.00000
# Extinction correction
_gsas_exptl_extinct_corr_T_min         1.00000
_gsas_exptl_extinct_corr_T_max         1.00000
_pd_proc_info_datetime                 2014-10-13T15:02:01
_pd_calc_method                        "Rietveld Refinement"

#---- raw/calc data loop -----
_pd_meas_2theta_range_min              5.0
_pd_meas_2theta_range_max              120.0
_pd_meas_2theta_range_inc              0.05
_pd_proc_2theta_range_min              4.6885
_pd_proc_2theta_range_max              119.6885
_pd_proc_2theta_range_inc              0.05

loop_
      _pd_meas_counts_total
      _pd_proc_ls_weight
      _pd_proc_intensity_bkg_calc
      _pd_calc_intensity_total
  6034.0     0.0001657   5819.32568   5929.37939
  5998.0     0.0001667   5790.61230   5906.93701
  6071.0     0.0001647   5763.93945   5887.92627
  5548.0     0.0001802   5739.17285   5872.87744
  6134.0     0.0001630   5716.18555   5862.63086
  6043.0     0.0001655   5694.85645   5858.05664
  5778.0     0.0001731   5675.07031   5859.03320
  5581.0     0.0001792   5656.71826   5862.69580
  5773.0     0.0001732   5639.69727   5862.17383
  5863.0     0.0001706   5623.90820   5848.01904
  5952.0     0.0001680   5609.25879   5813.20020
  5609.0     0.0001783   5595.66016   5759.23193
  5482.0     0.0001824   5583.02930   5697.26221
  5830.0     0.0001715   5571.28711   5640.64746
  5320.0     0.0001880   5560.35986   5597.28760
  5625.0     0.0001778   5550.17627   5567.94043
  5609.0     0.0001783   5540.67041   5548.98730
  5688.0     0.0001758   5531.78076   5536.08643
  5446.0     0.0001836   5523.44678   5526.17822
  5496.0     0.0001820   5515.61475   5517.68555
  5470.0     0.0001828   5508.23193   5509.95215
  5279.0     0.0001894   5501.25000   5502.73291
  5646.0     0.0001771   5494.62402   5495.92285
  5637.0     0.0001774   5488.31006   5489.46094
  5427.0     0.0001843   5482.26904   5483.29736
  5526.0     0.0001810   5476.46387   5477.38867
  5479.0     0.0001825   5470.85986   5471.69727
  5288.0     0.0001891   5465.42529   5466.18799
  5263.0     0.0001900   5460.12988   5460.82813
  5644.0     0.0001772   5454.94580   5455.58789
  5494.0     0.0001820   5449.84863   5450.44141
  5526.0     0.0001810   5444.81445   5445.36377
  5284.0     0.0001893   5439.82178   5440.33252
  5047.0     0.0001981   5434.85059   5435.32666
  5576.0     0.0001793   5429.88330   5430.32910
  5409.0     0.0001849   5424.90381   5425.32129
  5771.0     0.0001733   5419.89697   5420.28955
  5526.0     0.0001810   5414.84912   5415.21924
  5505.0     0.0001817   5409.74902   5410.09863
  5318.0     0.0001880   5404.58594   5404.91699
  5653.0     0.0001769   5399.35059   5399.66406
  5400.0     0.0001852   5394.03467   5394.33252
  5194.0     0.0001925   5388.63037   5388.91406
  5510.0     0.0001815   5383.13330   5383.40332
  5400.0     0.0001852   5377.53711   5377.79492
  5696.0     0.0001756   5371.83789   5372.08447
  5576.0     0.0001793   5366.03271   5366.26855
  5466.0     0.0001829   5360.11914   5360.34521
  5643.0     0.0001772   5354.09473   5354.10303
  5390.0     0.0001855   5347.95996   5347.96826
  5485.0     0.0001823   5341.71289   5341.72168
  5334.0     0.0001875   5335.35449   5335.36328
  5479.0     0.0001825   5328.88574   5328.89502
  5250.0     0.0001905   5322.30811   5322.51416
  5275.0     0.0001896   5315.62305   5315.83887
  5010.0     0.0001996   5308.83301   5309.05908
  5117.0     0.0001954   5301.94043   5302.17773
  5566.0     0.0001797   5294.94922   5295.19873
  5633.0     0.0001775   5287.86182   5288.12402
  5221.0     0.0001915   5280.68213   5280.95947
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  4876.0     0.0002051   4530.91064   4664.40625
  4711.0     0.0002123   4532.69971   4708.90820
  4894.0     0.0002043   4534.49023   4763.16357
  4879.0     0.0002050   4536.28223   4825.67529
  4971.0     0.0002012   4538.07520   4893.87695
  5117.0     0.0001954   4539.87061   4964.12451
  5011.0     0.0001996   4541.66699   5031.92285
  5006.0     0.0001998   4543.46582   5092.41162
  5192.0     0.0001926   4545.26611   5140.98145
  5238.0     0.0001909   4547.06836   5173.75732
  5058.0     0.0001977   4548.87305   5187.95459
  5202.0     0.0001922   4550.67969   5182.29199
  5272.0     0.0001897   4552.48828   5157.46436
  5135.0     0.0001947   4554.29932   5116.27002
  5166.0     0.0001936   4556.11230   5063.09229
  4901.0     0.0002040   4557.92773   5002.95654
  5127.0     0.0001950   4559.74561   4940.63232
  4959.0     0.0002017   4561.56543   4880.04004
  4981.0     0.0002008   4563.38770   4824.00488
  4880.0     0.0002049   4565.21191   4774.27246
  4917.0     0.0002034   4567.03857   4731.67969
  4749.0     0.0002106   4568.86670   4696.35693
  4646.0     0.0002152   4570.69775   4667.82471
  4781.0     0.0002092   4572.53076   4645.69678
  4650.0     0.0002151   4574.36475   4628.91943
  4461.0     0.0002242   4576.20117   4616.86133
  4587.0     0.0002180   4578.03906   4608.68994
  4516.0     0.0002214   4579.87891   4603.68164
  4708.0     0.0002124   4581.72021   4601.30615
  4572.0     0.0002187   4583.56250   4600.69971
  4498.0     0.0002223   4585.40576   4601.40332
  4675.0     0.0002139   4587.25000   4602.95605
  4534.0     0.0002206   4589.09521   4604.88135
  4597.0     0.0002175   4590.94141   4606.87793
  4592.0     0.0002178   4592.78711   4608.91504
  4689.0     0.0002133   4594.63330   4610.74072
  4482.0     0.0002231   4596.47949   4612.33447
  4672.0     0.0002140   4598.32520   4613.75977
  4614.0     0.0002167   4600.17041   4615.12354
  4730.0     0.0002114   4602.01416   4616.55518
  4557.0     0.0002194   4603.85742   4618.17676
  4787.0     0.0002089   4605.69873   4620.08789
  4588.0     0.0002180   4607.53857   4622.27686
  4798.0     0.0002084   4609.37646   4624.76514
  4533.0     0.0002206   4611.21094   4627.49170
  4805.0     0.0002081   4613.04346   4630.36523
  4564.0     0.0002191   4614.87256   4633.26074
  4842.0     0.0002065   4616.69775   4636.04688
  4694.0     0.0002130   4618.51953   4638.62061
  4611.0     0.0002169   4620.33691   4640.87207
  4661.0     0.0002145   4622.14941   4642.76221
  4565.0     0.0002191   4623.95654   4644.26563
  4626.0     0.0002162   4625.75879   4645.39160
  4559.0     0.0002193   4627.55469   4646.24512
  4700.0     0.0002128   4629.34375   4646.76611
  4666.0     0.0002143   4631.12646   4647.07617
  4684.0     0.0002135   4632.90186   4647.26416
  4658.0     0.0002147   4634.66943   4647.00049
  4574.0     0.0002186   4636.42871   4647.26416
  4724.0     0.0002117   4638.17920   4647.76221
  4596.0     0.0002176   4639.92090   4648.51660
  4577.0     0.0002185   4641.65234   4649.71338
  4624.0     0.0002163   4643.37402   4651.52539
  4537.0     0.0002204   4645.08545   4654.18213
  4608.0     0.0002170   4646.78516   4657.91650
  4729.0     0.0002115   4648.47314   4663.27832
  4650.0     0.0002151   4650.14941   4670.67090
  4664.0     0.0002144   4651.81299   4680.63818
  4749.0     0.0002106   4653.46387   4693.72803
  4761.0     0.0002100   4655.10059   4710.42480
  4889.0     0.0002045   4656.72412   4731.02979
  4938.0     0.0002025   4658.33252   4755.57764
  4767.0     0.0002098   4659.92627   4783.70654
  4814.0     0.0002077   4661.50439   4814.62402
  4827.0     0.0002072   4663.06641   4847.36719
  4795.0     0.0002086   4664.61230   4879.66016
  4997.0     0.0002001   4666.14160   4909.86523
  4906.0     0.0002038   4667.65332   4935.92480
  5136.0     0.0001947   4669.14795   4956.06152
  4953.0     0.0002019   4670.62402   4968.84521
  4874.0     0.0002052   4672.08203   4973.33301
  4884.0     0.0002048   4673.52051   4969.20459
  4830.0     0.0002070   4674.94043   4956.92139
  4997.0     0.0002001   4676.34082   4937.79053
  5037.0     0.0001985   4677.72119   4913.80713
  4969.0     0.0002012   4679.08154   4887.34424
  4837.0     0.0002067   4680.42090   4860.76904
  4768.0     0.0002097   4681.73975   4836.12012
  4836.0     0.0002068   4683.03809   4814.89990
  4695.0     0.0002130   4684.31494   4798.00488
  5020.0     0.0001992   4685.57031   4785.74658
  4846.0     0.0002064   4686.80371   4778.00635
  4640.0     0.0002155   4688.01611   4774.42334
  4819.0     0.0002075   4689.20654   4774.67139
  4909.0     0.0002037   4690.37451   4778.61230
  4836.0     0.0002068   4691.52100   4786.46973
  4817.0     0.0002076   4692.64502   4798.79541
  5015.0     0.0001994   4693.74756   4816.32373
  4830.0     0.0002070   4694.82813   4839.71045
  4783.0     0.0002091   4695.88672   4869.22119
  5073.0     0.0001971   4696.92383   4905.24512
  5145.0     0.0001944   4697.93896   4945.28613
  4762.0     0.0002100   4698.93359   4987.76123
  5064.0     0.0001975   4699.90674   5029.06934
  5165.0     0.0001936   4700.85889   5066.11914
  4876.0     0.0002051   4701.79053   5095.28516
  5155.0     0.0001940   4702.70264   5113.44678
  5074.0     0.0001971   4703.59473   5118.62451
  5092.0     0.0001964   4704.46777   5110.41504
  5004.0     0.0001998   4705.32227   5090.02197
  4942.0     0.0002023   4706.15869   5059.95361
  5103.0     0.0001960   4706.97803   5023.56152
  4819.0     0.0002075   4707.78027   4984.40234
  5084.0     0.0001967   4708.56689   4946.13379
  4904.0     0.0002039   4709.33838   4912.05273
  5006.0     0.0001998   4710.09521   4884.92188
  4917.0     0.0002034   4710.83887   4866.86084
  4800.0     0.0002083   4711.56982   4859.29297
  4889.0     0.0002045   4712.28955   4862.91895
  5021.0     0.0001992   4712.99902   4877.66113
  4814.0     0.0002077   4713.69922   4902.62549
  5064.0     0.0001975   4714.39111   4936.02197
  5103.0     0.0001960   4715.07666   4975.22510
  5013.0     0.0001995   4715.75635   5016.68359
  5009.0     0.0001996   4716.43213   5056.41113
  5096.0     0.0001962   4717.10547   5090.20020
  5178.0     0.0001931   4717.77686   5114.17480
  5038.0     0.0001985   4718.44971   5125.39404
  4947.0     0.0002021   4719.12402   5122.44238
  4931.0     0.0002028   4719.80176   5105.57715
  5080.0     0.0001969   4720.48535   5077.01025
  5025.0     0.0001990   4721.17627   5039.80811
  4986.0     0.0002006   4721.87598   4997.72998
  5029.0     0.0001988   4722.58691   4954.56738
  5059.0     0.0001977   4723.31055   4913.57959
  5059.0     0.0001977   4724.04980   4877.83984
  4760.0     0.0002101   4724.80566   4850.15723
  4755.0     0.0002103   4725.58105   4830.75049
  4672.0     0.0002140   4726.37793   4821.67529
  4589.0     0.0002179   4727.19824   4824.57178
  4875.0     0.0002051   4728.04541   4841.41211
  4701.0     0.0002127   4728.92041   4874.73486
  4849.0     0.0002062   4729.82617   4927.51563
  5045.0     0.0001982   4730.76563   5002.91504
  5028.0     0.0001989   4731.74023   5103.60254
  5223.0     0.0001915   4732.75391   5230.97607
  5527.0     0.0001809   4733.80811   5384.23096
  5607.0     0.0001783   4734.90625   5559.57520
  5695.0     0.0001756   4736.05029   5749.81738
  5917.0     0.0001690   4737.24365   5944.28223
  6028.0     0.0001659   4738.48828   6129.33105
  6147.0     0.0001627   4739.78760   6289.94873
  6443.0     0.0001552   4741.14404   6411.46094
  6520.0     0.0001534   4742.56055   6481.94824
  6409.0     0.0001560   4744.04004   6494.46240
  6527.0     0.0001532   4745.58545   6448.44141
  6280.0     0.0001592   4747.19873   6349.64063
  6144.0     0.0001628   4748.88379   6208.92725
  5902.0     0.0001694   4750.64355   6040.21387
  5838.0     0.0001713   4752.47949   5858.22363
  5431.0     0.0001841   4754.39600   5676.21826
  5454.0     0.0001834   4756.39502   5505.75537
  5382.0     0.0001858   4758.47998   5354.16357
  5001.0     0.0002000   4760.65332   5225.65967
  5075.0     0.0001970   4762.91748   5121.33398
  5167.0     0.0001935   4765.27588   5040.03711
  4732.0     0.0002113   4767.72998   4979.29492
  4885.0     0.0002047   4770.28418   4935.79199
  4943.0     0.0002023   4772.94043   4906.18262
  4788.0     0.0002089   4775.70020   4887.40283
  4753.0     0.0002104   4778.56738   4876.88672
  4737.0     0.0002111   4781.54297   4872.63916
  4875.0     0.0002051   4784.63086   4873.25195
  4795.0     0.0002086   4787.83252   4877.88867
  4746.0     0.0002107   4791.14990   4886.28516
  4845.0     0.0002064   4794.58545   4898.78613
  5043.0     0.0001983   4798.14063   4916.33398
  5046.0     0.0001982   4801.81787   4940.45605
  4869.0     0.0002054   4805.61865   4973.02637
  4901.0     0.0002040   4809.54395   5016.06934
  5143.0     0.0001944   4813.59668   5071.00293
  5148.0     0.0001943   4817.77637   5139.40625
  5391.0     0.0001855   4822.08545   5220.54932
  5638.0     0.0001774   4826.52441   5312.56836
  5490.0     0.0001821   4831.09326   5411.62939
  5775.0     0.0001732   4835.79443   5512.17578
  5822.0     0.0001718   4840.62695   5607.27588
  5880.0     0.0001701   4845.59229   5689.32471
  5962.0     0.0001677   4850.68945   5751.00732
  5852.0     0.0001709   4855.91797   5786.50586
  5964.0     0.0001677   4861.27881   5792.63086
  5867.0     0.0001704   4866.77002   5769.50684
  5901.0     0.0001695   4872.39209   5720.47119
  5754.0     0.0001738   4878.14307   5651.31543
  5864.0     0.0001705   4884.02100   5569.18213
  5696.0     0.0001756   4890.02637   5481.48193
  5594.0     0.0001788   4896.15527   5394.91357
  5688.0     0.0001758   4902.40674   5314.80859
  5409.0     0.0001849   4908.77832   5244.87842
  5177.0     0.0001932   4915.26611   5186.67480
  5022.0     0.0001991   4921.86914   5140.50928
  5064.0     0.0001975   4928.58154   5105.44385
  5019.0     0.0001992   4935.40234   5079.84229
  4974.0     0.0002010   4942.32666   5061.82910
  5148.0     0.0001943   4949.34912   5049.64600
  5043.0     0.0001983   4956.46729   5041.84961
  5051.0     0.0001980   4963.67383   5036.59863
  4956.0     0.0002018   4970.96631   5034.46143
  4883.0     0.0002048   4978.33740   5034.33105
  4827.0     0.0002072   4985.78076   5036.53662
  4883.0     0.0002048   4993.29248   5040.37549
  5122.0     0.0001952   5000.86328   5045.60352
  5116.0     0.0001955   5008.48877   5051.92383
  4937.0     0.0002026   5016.16113   5058.99414
  5053.0     0.0001979   5023.87109   5066.42188
  5409.0     0.0001849   5031.61377   5073.83887
  5182.0     0.0001930   5039.37793   5080.92871
  5077.0     0.0001970   5047.15771   5087.45898
  4809.0     0.0002079   5054.94385   5093.44531
  5066.0     0.0001974   5062.72510   5098.92383
  5093.0     0.0001963   5070.49561   5104.09229
  5167.0     0.0001935   5078.24219   5109.22217
  5037.0     0.0001985   5085.95801   5114.62549
  5174.0     0.0001933   5093.63184   5120.60010
  5195.0     0.0001925   5101.25195   5127.40771
  5199.0     0.0001923   5108.81006   5135.23633
  5090.0     0.0001965   5116.29395   5144.18066
  5200.0     0.0001923   5123.69385   5154.22803
  5256.0     0.0001903   5130.99805   5165.24707
  5113.0     0.0001956   5138.19434   5176.98291
  5026.0     0.0001990   5145.27393   5189.10840
  5026.0     0.0001990   5152.22314   5201.22998
  5170.0     0.0001934   5159.03271   5212.85547
  4988.0     0.0002005   5165.69043   5223.57568
  5205.0     0.0001921   5172.18457   5232.99707
  5013.0     0.0001995   5178.50537   5240.85010
  5087.0     0.0001966   5184.64063   5246.99219
  5175.0     0.0001932   5190.58105   5251.48877
  5160.0     0.0001938   5196.31592   5254.39502
  5087.0     0.0001966   5201.83398   5256.06396
  5307.0     0.0001884   5207.12744   5256.88623
  5073.0     0.0001971   5212.18555   5257.31543
  5598.0     0.0001786   5217.00098   5257.04346
  4957.0     0.0002017   5221.56543   5258.09082
  5322.0     0.0001879   5225.87061   5260.26514
  5305.0     0.0001885   5229.91162   5263.84131
  5281.0     0.0001894   5233.68164   5269.23486
  5169.0     0.0001935   5237.17725   5276.76953
  5354.0     0.0001868   5240.39404   5286.72070
  5390.0     0.0001855   5243.33008   5299.22852
  5302.0     0.0001886   5245.98486   5314.35400
  5415.0     0.0001847   5248.35791   5331.78711
  5411.0     0.0001848   5250.45215   5351.15332
  5388.0     0.0001856   5252.27100   5371.77783
  5634.0     0.0001775   5253.82080   5392.79932
  5504.0     0.0001817   5255.10840   5412.81543
  5542.0     0.0001804   5256.14404   5430.60791
  5619.0     0.0001780   5256.94092   5444.91260
  5631.0     0.0001776   5257.51270   5454.60596
  5392.0     0.0001855   5257.87695   5458.92139
  5428.0     0.0001842   5258.05518   5457.58691
  5494.0     0.0001820   5258.06982   5450.87793
  5504.0     0.0001817   5257.94873   5439.55615
  5629.0     0.0001777   5257.72217   5424.71924
  5263.0     0.0001900   5257.42432   5407.64600
  5266.0     0.0001899   5257.09375   5389.62256
  5296.0     0.0001888   5256.77393   5371.81934
  5410.0     0.0001848   5256.51172   5355.19531
  5180.0     0.0001931   5256.35938   5340.43701
  5500.0     0.0001818   5256.37451   5327.95117
  5433.0     0.0001841   5256.62061   5317.99561
  5735.0     0.0001744   5257.16650   5310.56348
  5085.0     0.0001967   5258.08740   5305.55566
  5304.0     0.0001885   5259.46533   5302.82666
  5049.0     0.0001981   5261.38818   5302.23535
  5084.0     0.0001967   5263.95264   5303.68457
  5340.0     0.0001873   5267.26221   5307.14746
  5271.0     0.0001897   5271.42969   5312.66504
  5443.0     0.0001837   5276.57520   5320.34424
  5425.0     0.0001843   5282.82764   5330.33691
  5195.0     0.0001925   5290.32813   5342.80908
  5424.0     0.0001844   5299.22363   5357.90381
  5335.0    .            .            .
_pd_meas_number_of_points              2301
_pd_proc_number_of_points              2301

_reflns_number_total                   580
_reflns_limit_h_min                    0
_reflns_limit_h_max                    6
_reflns_limit_k_min                    0
_reflns_limit_k_max                    10
_reflns_limit_l_min                    -18
_reflns_limit_l_max                    19
_reflns_d_resolution_high              0.884
_reflns_d_resolution_low               8.373
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
loop_
_publcif_info_datablock.id
_publcif_info_datablock.publ_exptl
_publcif_info_datablock.publ_geom
_publcif_info_datablock.structure
'{06f03603-9f5c-4fd8-a738-5bece9cfc543}' ? ? ?
'{ab5d5601-ca1e-457c-a262-882fda7e6054}' y ? y
'{4a564065-ef08-4196-a26b-97daf1a9e635}' ? ? ?
'{25a9826c-3f24-464c-833b-ab6275b19658}' ? ? ?
'{3d609d67-965d-47f8-b5a0-63e712a9f75e}' ? ? ?
'{65de1918-19a2-41ac-b3e9-99066f70d6fe}' n ? y

loop_
_publcif_info_exptl_table_extra_item
?

loop_
_publcif_info_exptl_table_header_item
?

_publcif_info_exptl_table_max_cols 4
_publcif_info_exptl_table_use_headnotes n

loop_
_publcif_info_tables.block_id
_publcif_info_tables.reference_item
"{06f03603-9f5c-4fd8-a738-5bece9cfc543}" "_publcif_info_datablock.publ_exptl"

loop_
_publcif_info_cif.paper_type
 ?

