# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 1992246'
loop_
_audit_author_name
_audit_author_address
'Pavlo Solokha'
;University of Genoa
Italy
;
_audit_update_record             
;
2020-03-23 deposited with the CCDC.	2020-07-28 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT971_shelx               
;
PROBLEM: Check Calcd Resid. Dens.  0.98A   From Mg1A            4.50 eA-3
RESPONSE: somewhat elevated residual electron density value is related to a complex disorder (typical for this strutural type); however, this value is not exagerated taking into account heavy elements constituting the compound
;
# Added during the CSD deposition process: Monday 23 March 2020 02:28 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         0.36(Mg4),
_chemical_formula_sum            'Au3 La1.82 Mg14.36'
_chemical_formula_weight         1192.81

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      hexagonal
_space_group_IT_number           194
_space_group_name_H-M_alt        'P 63/m m c'
_space_group_name_Hall           '-P 6c 2c'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, z-1/2'

_cell_length_a                   9.9663(14)
_cell_length_b                   9.9663(14)
_cell_length_c                   9.938(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     854.8(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    477
_cell_measurement_theta_min      2.360
_cell_measurement_theta_max      31.506

_exptl_crystal_description       'irregularly shaped'
_exptl_crystal_colour            'metallic luster'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    4.634
_exptl_crystal_F_000             1026
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.02
_exptl_absorpt_coefficient_mu    30.602
_exptl_absorpt_correction_T_min  0.28
_exptl_absorpt_correction_T_max  0.74

_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19703
_diffrn_reflns_av_unetI/netI     0.0146
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.360
_diffrn_reflns_theta_max         31.506
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             583
_reflns_number_gt                477
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0293P)²+4.1847P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.00042(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         583
_refine_ls_number_parameters     30
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0276
_refine_ls_R_factor_gt           0.0204
_refine_ls_wR_factor_ref         0.0566
_refine_ls_wR_factor_gt          0.0528
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_restrained_S_all      1.086
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
La1A La 0.0000 0.0000 0.2500 0.0171(3) Uani 0.818(5) 12 d S T P A 1
Mg1A Mg 0.0000 0.0000 0.0989(19) 0.011(3) Uani 0.182(5) 6 d S T P B 2
La2 La 0.3333 0.6667 0.2500 0.01093(17) Uani 1 12 d S T P B .
Mg1 Mg 0.3333 0.6667 0.5972(3) 0.0164(7) Uani 1 6 d S T P . .
Au1 Au 0.5000 0.0000 0.0000 0.01543(12) Uani 1 4 d S T P A .
Mg2 Mg 0.3683(3) 0.0318(2) 0.2500 0.0170(4) Uani 1 2 d S T P . .
Mg3 Mg 0.17208(13) 0.3442(3) 0.0219(2) 0.0165(4) Uani 1 2 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
La1A Mg2 3.523(2) 21 ?
La1A Mg2 3.523(2) 3 ?
La1A Mg2 3.523(2) 19 ?
La1A Mg2 3.523(2) 20 ?
La1A Mg2 3.523(2) 2 ?
La1A Mg2 3.523(2) . ?
La1A Mg3 3.737(2) . ?
La1A Mg3 3.737(2) 16_556 ?
La1A Mg3 3.737(2) 2 ?
La1A Mg3 3.737(2) 18_556 ?
La1A Mg3 3.737(2) 3 ?
La1A Mg3 3.737(2) 17_556 ?
Mg1A Mg1A 1.97(4) 13 ?
Mg1A Mg1A 3.00(4) 16_556 ?
Mg1A Mg3 3.067(5) . ?
Mg1A Mg3 3.067(5) 2 ?
Mg1A Mg3 3.067(5) 3 ?
Mg1A Mg3 3.204(8) 13 ?
Mg1A Mg3 3.204(8) 14 ?
Mg1A Mg3 3.204(8) 15 ?
La2 Mg1 3.450(3) 16_556 ?
La2 Mg1 3.450(3) . ?
La2 Mg2 3.478(2) 19_565 ?
La2 Mg2 3.478(2) 1_565 ?
La2 Mg2 3.478(2) 2 ?
La2 Mg2 3.478(2) 20_665 ?
La2 Mg2 3.478(2) 21 ?
La2 Mg2 3.478(2) 3_665 ?
La2 Mg3 3.590(2) 18_566 ?
La2 Mg3 3.590(2) 3_565 ?
La2 Mg3 3.590(2) 17_666 ?
La2 Mg3 3.590(2) 16_556 ?
Mg1 Mg3 3.025(3) 18_566 ?
Mg1 Mg3 3.025(3) 16_556 ?
Mg1 Mg3 3.025(3) 17_666 ?
Mg1 Au1 3.0348(11) 5_565 ?
Mg1 Au1 3.0348(11) 4_665 ?
Mg1 Au1 3.0348(11) 6 ?
Mg1 Mg1 3.037(7) 16_557 ?
Mg1 Mg2 3.353(3) 8_566 ?
Mg1 Mg2 3.353(3) 13_666 ?
Mg1 Mg2 3.353(3) 14_566 ?
Mg1 Mg2 3.353(3) 7_556 ?
Mg1 Mg2 3.353(3) 9_666 ?
Au1 Mg3 2.8398(11) 15_655 ?
Au1 Mg3 2.8398(11) 3 ?
Au1 Mg3 2.8398(11) 14 ?
Au1 Mg3 2.8398(11) 2_655 ?
Au1 Mg2 2.9002(12) . ?
Au1 Mg2 2.9002(12) 20_655 ?
Au1 Mg2 2.9002(12) 8 ?
Au1 Mg2 2.9002(12) 13_655 ?
Au1 Mg1 3.0348(11) 16_546 ?
Au1 Mg1 3.0348(11) 4_664 ?
Au1 La2 3.8013(4) 13_665 ?
Au1 La2 3.8013(4) 1_545 ?
Mg2 Au1 2.9002(12) 4_655 ?
Mg2 Mg2 2.942(4) 20_655 ?
Mg2 Mg3 3.020(2) 3 ?
Mg2 Mg3 3.020(2) 18_556 ?
Mg2 Mg2 3.036(4) 21 ?
Mg2 Mg3 3.106(2) 5 ?
Mg2 Mg3 3.106(2) 14 ?
Mg2 Mg1 3.353(3) 13_666 ?
Mg2 Mg1 3.353(3) 4_664 ?
Mg2 La2 3.478(2) 1_545 ?
Mg3 Au1 2.8398(11) 3_665 ?
Mg3 Au1 2.8398(11) 2 ?
Mg3 Mg3 3.002(2) 15 ?
Mg3 Mg3 3.002(2) 14 ?
Mg3 Mg2 3.020(2) 21 ?
Mg3 Mg2 3.020(2) 2 ?
Mg3 Mg1 3.025(3) 16_556 ?
Mg3 Mg2 3.106(2) 7 ?
Mg3 Mg2 3.106(2) 15 ?
Mg3 Mg1A 3.204(8) 13 ?

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_3
_geom_angle_publ_flag
Mg2 La1A Mg2 171.05(7) 21 3 ?
Mg2 La1A Mg2 120.0 21 19 ?
Mg2 La1A Mg2 51.05(7) 3 19 ?
Mg2 La1A Mg2 120.0 21 20 ?
Mg2 La1A Mg2 68.95(7) 3 20 ?
Mg2 La1A Mg2 120.0 19 20 ?
Mg2 La1A Mg2 68.95(7) 21 2 ?
Mg2 La1A Mg2 120.0 3 2 ?
Mg2 La1A Mg2 171.05(7) 19 2 ?
Mg2 La1A Mg2 51.05(7) 20 2 ?
Mg2 La1A Mg2 51.05(7) 21 . ?
Mg2 La1A Mg2 120.0 3 . ?
Mg2 La1A Mg2 68.95(7) 19 . ?
Mg2 La1A Mg2 171.05(7) 20 . ?
Mg2 La1A Mg2 120.0 2 . ?
Mg2 La1A Mg3 49.05(3) 21 . ?
Mg2 La1A Mg3 135.84(3) 3 . ?
Mg2 La1A Mg3 135.84(3) 19 . ?
Mg2 La1A Mg3 86.45(3) 20 . ?
Mg2 La1A Mg3 49.05(3) 2 . ?
Mg2 La1A Mg3 86.45(3) . . ?
Mg2 La1A Mg3 49.05(3) 21 16_556 ?
Mg2 La1A Mg3 135.84(3) 3 16_556 ?
Mg2 La1A Mg3 135.84(3) 19 16_556 ?
Mg2 La1A Mg3 86.45(3) 20 16_556 ?
Mg2 La1A Mg3 49.05(3) 2 16_556 ?
Mg2 La1A Mg3 86.45(3) . 16_556 ?
Mg3 La1A Mg3 74.70(7) . 16_556 ?
Mg2 La1A Mg3 135.84(3) 21 2 ?
Mg2 La1A Mg3 49.05(3) 3 2 ?
Mg2 La1A Mg3 86.45(3) 19 2 ?
Mg2 La1A Mg3 49.05(3) 20 2 ?
Mg2 La1A Mg3 86.45(3) 2 2 ?
Mg2 La1A Mg3 135.84(3) . 2 ?
Mg3 La1A Mg3 87.02(5) . 2 ?
Mg3 La1A Mg3 133.16(2) 16_556 2 ?
Mg2 La1A Mg3 86.45(3) 21 18_556 ?
Mg2 La1A Mg3 86.45(3) 3 18_556 ?
Mg2 La1A Mg3 49.05(3) 19 18_556 ?
Mg2 La1A Mg3 135.84(3) 20 18_556 ?
Mg2 La1A Mg3 135.84(3) 2 18_556 ?
Mg2 La1A Mg3 49.05(3) . 18_556 ?
Mg3 La1A Mg3 133.16(2) . 18_556 ?
Mg3 La1A Mg3 87.02(5) 16_556 18_556 ?
Mg3 La1A Mg3 133.16(2) 2 18_556 ?
Mg2 La1A Mg3 86.45(3) 21 3 ?
Mg2 La1A Mg3 86.45(3) 3 3 ?
Mg2 La1A Mg3 49.05(3) 19 3 ?
Mg2 La1A Mg3 135.84(3) 20 3 ?
Mg2 La1A Mg3 135.84(3) 2 3 ?
Mg2 La1A Mg3 49.05(3) . 3 ?
Mg3 La1A Mg3 87.02(5) . 3 ?
Mg3 La1A Mg3 133.16(2) 16_556 3 ?
Mg3 La1A Mg3 87.02(5) 2 3 ?
Mg3 La1A Mg3 74.70(7) 18_556 3 ?
Mg2 La1A Mg3 135.84(3) 21 17_556 ?
Mg2 La1A Mg3 49.05(3) 3 17_556 ?
Mg2 La1A Mg3 86.45(3) 19 17_556 ?
Mg2 La1A Mg3 49.05(3) 20 17_556 ?
Mg2 La1A Mg3 86.45(3) 2 17_556 ?
Mg2 La1A Mg3 135.84(3) . 17_556 ?
Mg3 La1A Mg3 133.16(2) . 17_556 ?
Mg3 La1A Mg3 87.02(5) 16_556 17_556 ?
Mg3 La1A Mg3 74.70(7) 2 17_556 ?
Mg3 La1A Mg3 87.02(5) 18_556 17_556 ?
Mg3 La1A Mg3 133.16(2) 3 17_556 ?
Mg1A Mg1A Mg1A 180.0 13 16_556 ?
Mg1A Mg1A Mg3 75.6(3) 13 . ?
Mg1A Mg1A Mg3 104.4(3) 16_556 . ?
Mg1A Mg1A Mg3 75.6(3) 13 2 ?
Mg1A Mg1A Mg3 104.4(3) 16_556 2 ?
Mg3 Mg1A Mg3 114.0(3) . 2 ?
Mg1A Mg1A Mg3 75.6(3) 13 3 ?
Mg1A Mg1A Mg3 104.4(3) 16_556 3 ?
Mg3 Mg1A Mg3 114.0(3) . 3 ?
Mg3 Mg1A Mg3 114.0(3) 2 3 ?
Mg1A Mg1A Mg3 68.0(3) 13 13 ?
Mg1A Mg1A Mg3 112.0(3) 16_556 13 ?
Mg3 Mg1A Mg3 143.6(7) . 13 ?
Mg3 Mg1A Mg3 57.15(12) 2 13 ?
Mg3 Mg1A Mg3 57.15(12) 3 13 ?
Mg1A Mg1A Mg3 68.0(3) 13 14 ?
Mg1A Mg1A Mg3 112.0(3) 16_556 14 ?
Mg3 Mg1A Mg3 57.15(12) . 14 ?
Mg3 Mg1A Mg3 143.6(7) 2 14 ?
Mg3 Mg1A Mg3 57.15(12) 3 14 ?
Mg3 Mg1A Mg3 106.8(3) 13 14 ?
Mg1A Mg1A Mg3 68.0(3) 13 15 ?
Mg1A Mg1A Mg3 112.0(3) 16_556 15 ?
Mg3 Mg1A Mg3 57.15(12) . 15 ?
Mg3 Mg1A Mg3 57.15(12) 2 15 ?
Mg3 Mg1A Mg3 143.6(7) 3 15 ?
Mg3 Mg1A Mg3 106.8(3) 13 15 ?
Mg3 Mg1A Mg3 106.8(3) 14 15 ?
Mg1 La2 Mg1 180.0 16_556 . ?
Mg1 La2 Mg2 90.0 16_556 19_565 ?
Mg1 La2 Mg2 90.0 . 19_565 ?
Mg1 La2 Mg2 90.0 16_556 1_565 ?
Mg1 La2 Mg2 90.0 . 1_565 ?
Mg2 La2 Mg2 69.96(8) 19_565 1_565 ?
Mg1 La2 Mg2 90.0 16_556 2 ?
Mg1 La2 Mg2 90.0 . 2 ?
Mg2 La2 Mg2 50.04(8) 19_565 2 ?
Mg2 La2 Mg2 120.0 1_565 2 ?
Mg1 La2 Mg2 90.0 16_556 20_665 ?
Mg1 La2 Mg2 90.0 . 20_665 ?
Mg2 La2 Mg2 120.0 19_565 20_665 ?
Mg2 La2 Mg2 50.04(8) 1_565 20_665 ?
Mg2 La2 Mg2 170.04(8) 2 20_665 ?
Mg1 La2 Mg2 90.0 16_556 21 ?
Mg1 La2 Mg2 90.0 . 21 ?
Mg2 La2 Mg2 120.0 19_565 21 ?
Mg2 La2 Mg2 170.04(8) 1_565 21 ?
Mg2 La2 Mg2 69.96(8) 2 21 ?
Mg2 La2 Mg2 120.0 20_665 21 ?
Mg1 La2 Mg2 90.0 16_556 3_665 ?
Mg1 La2 Mg2 90.0 . 3_665 ?
Mg2 La2 Mg2 170.04(8) 19_565 3_665 ?
Mg2 La2 Mg2 120.0 1_565 3_665 ?
Mg2 La2 Mg2 120.0 2 3_665 ?
Mg2 La2 Mg2 69.96(8) 20_665 3_665 ?
Mg2 La2 Mg2 50.04(8) 21 3_665 ?
Mg1 La2 Mg3 129.16(3) 16_556 18_566 ?
Mg1 La2 Mg3 50.84(3) . 18_566 ?
Mg2 La2 Mg3 50.56(3) 19_565 18_566 ?
Mg2 La2 Mg3 50.56(3) 1_565 18_566 ?
Mg2 La2 Mg3 86.14(3) 2 18_566 ?
Mg2 La2 Mg3 86.14(3) 20_665 18_566 ?
Mg2 La2 Mg3 134.64(3) 21 18_566 ?
Mg2 La2 Mg3 134.64(3) 3_665 18_566 ?
Mg1 La2 Mg3 50.84(3) 16_556 3_565 ?
Mg1 La2 Mg3 129.16(3) . 3_565 ?
Mg2 La2 Mg3 50.56(3) 19_565 3_565 ?
Mg2 La2 Mg3 50.56(3) 1_565 3_565 ?
Mg2 La2 Mg3 86.14(3) 2 3_565 ?
Mg2 La2 Mg3 86.14(3) 20_665 3_565 ?
Mg2 La2 Mg3 134.64(3) 21 3_565 ?
Mg2 La2 Mg3 134.64(3) 3_665 3_565 ?
Mg3 La2 Mg3 78.32(7) 18_566 3_565 ?
Mg1 La2 Mg3 129.16(3) 16_556 17_666 ?
Mg1 La2 Mg3 50.84(3) . 17_666 ?
Mg2 La2 Mg3 134.64(3) 19_565 17_666 ?
Mg2 La2 Mg3 86.14(3) 1_565 17_666 ?
Mg2 La2 Mg3 134.64(3) 2 17_666 ?
Mg2 La2 Mg3 50.56(3) 20_665 17_666 ?
Mg2 La2 Mg3 86.14(3) 21 17_666 ?
Mg2 La2 Mg3 50.56(3) 3_665 17_666 ?
Mg3 La2 Mg3 84.37(5) 18_566 17_666 ?
Mg3 La2 Mg3 134.38(2) 3_565 17_666 ?
Mg1 La2 Mg3 129.16(3) 16_556 16_556 ?
Mg1 La2 Mg3 50.84(3) . 16_556 ?
Mg2 La2 Mg3 86.14(3) 19_565 16_556 ?
Mg2 La2 Mg3 134.64(3) 1_565 16_556 ?
Mg2 La2 Mg3 50.56(3) 2 16_556 ?
Mg2 La2 Mg3 134.64(3) 20_665 16_556 ?
Mg2 La2 Mg3 50.56(3) 21 16_556 ?
Mg2 La2 Mg3 86.14(3) 3_665 16_556 ?
Mg3 La2 Mg3 84.37(5) 18_566 16_556 ?
Mg3 La2 Mg3 134.38(2) 3_565 16_556 ?
Mg3 La2 Mg3 84.37(5) 17_666 16_556 ?
Mg3 Mg1 Mg3 105.69(8) 18_566 16_556 ?
Mg3 Mg1 Mg3 105.69(8) 18_566 17_666 ?
Mg3 Mg1 Mg3 105.69(8) 16_556 17_666 ?
Mg3 Mg1 Au1 55.89(2) 18_566 5_565 ?
Mg3 Mg1 Au1 55.89(2) 16_556 5_565 ?
Mg3 Mg1 Au1 138.41(13) 17_666 5_565 ?
Mg3 Mg1 Au1 55.89(2) 18_566 4_665 ?
Mg3 Mg1 Au1 138.41(13) 16_556 4_665 ?
Mg3 Mg1 Au1 55.89(2) 17_666 4_665 ?
Au1 Mg1 Au1 110.37(6) 5_565 4_665 ?
Mg3 Mg1 Au1 138.41(13) 18_566 6 ?
Mg3 Mg1 Au1 55.89(2) 16_556 6 ?
Mg3 Mg1 Au1 55.89(2) 17_666 6 ?
Au1 Mg1 Au1 110.37(6) 5_565 6 ?
Au1 Mg1 Au1 110.37(6) 4_665 6 ?
Mg3 Mg1 Mg1 113.03(7) 18_566 16_557 ?
Mg3 Mg1 Mg1 113.03(7) 16_556 16_557 ?
Mg3 Mg1 Mg1 113.03(7) 17_666 16_557 ?
Au1 Mg1 Mg1 108.56(6) 5_565 16_557 ?
Au1 Mg1 Mg1 108.56(6) 4_665 16_557 ?
Au1 Mg1 Mg1 108.56(6) 6 16_557 ?
Mg3 Mg1 Mg2 58.02(5) 18_566 8_566 ?
Mg3 Mg1 Mg2 153.06(4) 16_556 8_566 ?
Mg3 Mg1 Mg2 99.77(4) 17_666 8_566 ?
Au1 Mg1 Mg2 98.73(4) 5_565 8_566 ?
Au1 Mg1 Mg2 53.73(3) 4_665 8_566 ?
Au1 Mg1 Mg2 150.72(5) 6 8_566 ?
Mg1 Mg1 Mg2 63.07(5) 16_557 8_566 ?
Mg3 Mg1 Mg2 99.77(4) 18_566 13_666 ?
Mg3 Mg1 Mg2 153.06(4) 16_556 13_666 ?
Mg3 Mg1 Mg2 58.02(5) 17_666 13_666 ?
Au1 Mg1 Mg2 150.72(5) 5_565 13_666 ?
Au1 Mg1 Mg2 53.73(3) 4_665 13_666 ?
Au1 Mg1 Mg2 98.73(4) 6 13_666 ?
Mg1 Mg1 Mg2 63.07(5) 16_557 13_666 ?
Mg2 Mg1 Mg2 52.04(7) 8_566 13_666 ?
Mg3 Mg1 Mg2 58.02(5) 18_566 14_566 ?
Mg3 Mg1 Mg2 99.77(4) 16_556 14_566 ?
Mg3 Mg1 Mg2 153.06(4) 17_666 14_566 ?
Au1 Mg1 Mg2 53.73(3) 5_565 14_566 ?
Au1 Mg1 Mg2 98.73(4) 4_665 14_566 ?
Au1 Mg1 Mg2 150.72(5) 6 14_566 ?
Mg1 Mg1 Mg2 63.07(5) 16_557 14_566 ?
Mg2 Mg1 Mg2 53.85(7) 8_566 14_566 ?
Mg2 Mg1 Mg2 101.09(7) 13_666 14_566 ?
Mg3 Mg1 Mg2 99.77(4) 18_566 7_556 ?
Mg3 Mg1 Mg2 58.02(5) 16_556 7_556 ?
Mg3 Mg1 Mg2 153.06(4) 17_666 7_556 ?
Au1 Mg1 Mg2 53.73(3) 5_565 7_556 ?
Au1 Mg1 Mg2 150.72(5) 4_665 7_556 ?
Au1 Mg1 Mg2 98.73(4) 6 7_556 ?
Mg1 Mg1 Mg2 63.07(5) 16_557 7_556 ?
Mg2 Mg1 Mg2 101.09(7) 8_566 7_556 ?
Mg2 Mg1 Mg2 126.13(11) 13_666 7_556 ?
Mg2 Mg1 Mg2 52.04(7) 14_566 7_556 ?
Mg3 Mg1 Mg2 153.06(4) 18_566 9_666 ?
Mg3 Mg1 Mg2 99.77(4) 16_556 9_666 ?
Mg3 Mg1 Mg2 58.02(5) 17_666 9_666 ?
Au1 Mg1 Mg2 150.72(5) 5_565 9_666 ?
Au1 Mg1 Mg2 98.73(4) 4_665 9_666 ?
Au1 Mg1 Mg2 53.73(3) 6 9_666 ?
Mg1 Mg1 Mg2 63.07(5) 16_557 9_666 ?
Mg2 Mg1 Mg2 101.09(7) 8_566 9_666 ?
Mg2 Mg1 Mg2 53.85(7) 13_666 9_666 ?
Mg2 Mg1 Mg2 126.13(11) 14_566 9_666 ?
Mg2 Mg1 Mg2 101.09(7) 7_556 9_666 ?
Mg3 Au1 Mg3 180.0 15_655 3 ?
Mg3 Au1 Mg3 116.18(8) 15_655 14 ?
Mg3 Au1 Mg3 63.82(8) 3 14 ?
Mg3 Au1 Mg3 63.82(8) 15_655 2_655 ?
Mg3 Au1 Mg3 116.18(8) 3 2_655 ?
Mg3 Au1 Mg3 180.0 14 2_655 ?
Mg3 Au1 Mg2 116.52(6) 15_655 . ?
Mg3 Au1 Mg2 63.48(6) 3 . ?
Mg3 Au1 Mg2 65.52(6) 14 . ?
Mg3 Au1 Mg2 114.48(6) 2_655 . ?
Mg3 Au1 Mg2 65.51(6) 15_655 20_655 ?
Mg3 Au1 Mg2 114.49(6) 3 20_655 ?
Mg3 Au1 Mg2 116.52(6) 14 20_655 ?
Mg3 Au1 Mg2 63.48(6) 2_655 20_655 ?
Mg2 Au1 Mg2 60.95(8) . 20_655 ?
Mg3 Au1 Mg2 114.49(6) 15_655 8 ?
Mg3 Au1 Mg2 65.51(6) 3 8 ?
Mg3 Au1 Mg2 63.48(6) 14 8 ?
Mg3 Au1 Mg2 116.52(6) 2_655 8 ?
Mg2 Au1 Mg2 119.05(8) . 8 ?
Mg2 Au1 Mg2 180.0 20_655 8 ?
Mg3 Au1 Mg2 63.48(6) 15_655 13_655 ?
Mg3 Au1 Mg2 116.52(6) 3 13_655 ?
Mg3 Au1 Mg2 114.49(6) 14 13_655 ?
Mg3 Au1 Mg2 65.51(6) 2_655 13_655 ?
Mg2 Au1 Mg2 180.0 . 13_655 ?
Mg2 Au1 Mg2 119.05(8) 20_655 13_655 ?
Mg2 Au1 Mg2 60.95(8) 8 13_655 ?
Mg3 Au1 Mg1 118.13(4) 15_655 16_546 ?
Mg3 Au1 Mg1 61.87(4) 3 16_546 ?
Mg3 Au1 Mg1 118.13(4) 14 16_546 ?
Mg3 Au1 Mg1 61.87(4) 2_655 16_546 ?
Mg2 Au1 Mg1 111.25(7) . 16_546 ?
Mg2 Au1 Mg1 111.25(7) 20_655 16_546 ?
Mg2 Au1 Mg1 68.75(7) 8 16_546 ?
Mg2 Au1 Mg1 68.75(7) 13_655 16_546 ?
Mg3 Au1 Mg1 61.87(4) 15_655 4_664 ?
Mg3 Au1 Mg1 118.13(4) 3 4_664 ?
Mg3 Au1 Mg1 61.87(4) 14 4_664 ?
Mg3 Au1 Mg1 118.13(4) 2_655 4_664 ?
Mg2 Au1 Mg1 68.75(7) . 4_664 ?
Mg2 Au1 Mg1 68.75(7) 20_655 4_664 ?
Mg2 Au1 Mg1 111.25(7) 8 4_664 ?
Mg2 Au1 Mg1 111.25(7) 13_655 4_664 ?
Mg1 Au1 Mg1 180.00(12) 16_546 4_664 ?
Mg3 Au1 La2 63.52(4) 15_655 13_665 ?
Mg3 Au1 La2 116.48(4) 3 13_665 ?
Mg3 Au1 La2 63.52(4) 14 13_665 ?
Mg3 Au1 La2 116.48(4) 2_655 13_665 ?
Mg2 Au1 La2 119.22(4) . 13_665 ?
Mg2 Au1 La2 119.22(4) 20_655 13_665 ?
Mg2 Au1 La2 60.78(4) 8 13_665 ?
Mg2 Au1 La2 60.78(4) 13_655 13_665 ?
Mg1 Au1 La2 120.63(6) 16_546 13_665 ?
Mg1 Au1 La2 59.37(6) 4_664 13_665 ?
Mg3 Au1 La2 116.48(4) 15_655 1_545 ?
Mg3 Au1 La2 63.52(4) 3 1_545 ?
Mg3 Au1 La2 116.48(4) 14 1_545 ?
Mg3 Au1 La2 63.52(4) 2_655 1_545 ?
Mg2 Au1 La2 60.78(4) . 1_545 ?
Mg2 Au1 La2 60.78(4) 20_655 1_545 ?
Mg2 Au1 La2 119.22(4) 8 1_545 ?
Mg2 Au1 La2 119.22(4) 13_655 1_545 ?
Mg1 Au1 La2 59.37(6) 16_546 1_545 ?
Mg1 Au1 La2 120.63(6) 4_664 1_545 ?
La2 Au1 La2 180.0 13_665 1_545 ?
Au1 Mg2 Au1 117.88(7) 4_655 . ?
Au1 Mg2 Mg2 59.53(4) 4_655 20_655 ?
Au1 Mg2 Mg2 59.53(4) . 20_655 ?
Au1 Mg2 Mg3 138.21(8) 4_655 3 ?
Au1 Mg2 Mg3 57.29(4) . 3 ?
Mg2 Mg2 Mg3 108.13(6) 20_655 3 ?
Au1 Mg2 Mg3 57.29(4) 4_655 18_556 ?
Au1 Mg2 Mg3 138.21(8) . 18_556 ?
Mg2 Mg2 Mg3 108.13(6) 20_655 18_556 ?
Mg3 Mg2 Mg3 97.30(9) 3 18_556 ?
Au1 Mg2 Mg2 109.61(4) 4_655 21 ?
Au1 Mg2 Mg2 109.61(4) . 21 ?
Mg2 Mg2 Mg2 120.0 20_655 21 ?
Mg3 Mg2 Mg2 110.43(6) 3 21 ?
Mg3 Mg2 Mg2 110.43(6) 18_556 21 ?
Au1 Mg2 Mg3 56.31(3) 4_655 5 ?
Au1 Mg2 Mg3 159.31(10) . 5 ?
Mg2 Mg2 Mg3 107.61(6) 20_655 5 ?
Mg3 Mg2 Mg3 141.81(11) 3 5 ?
Mg3 Mg2 Mg3 58.67(5) 18_556 5 ?
Mg2 Mg2 Mg3 60.74(4) 21 5 ?
Au1 Mg2 Mg3 159.31(10) 4_655 14 ?
Au1 Mg2 Mg3 56.31(3) . 14 ?
Mg2 Mg2 Mg3 107.61(6) 20_655 14 ?
Mg3 Mg2 Mg3 58.67(5) 3 14 ?
Mg3 Mg2 Mg3 141.81(11) 18_556 14 ?
Mg2 Mg2 Mg3 60.74(4) 21 14 ?
Mg3 Mg2 Mg3 120.88(8) 5 14 ?
Au1 Mg2 Mg1 57.52(5) 4_655 13_666 ?
Au1 Mg2 Mg1 103.83(8) . 13_666 ?
Mg2 Mg2 Mg1 63.98(4) 20_655 13_666 ?
Mg3 Mg2 Mg1 158.26(8) 3 13_666 ?
Mg3 Mg2 Mg1 104.41(6) 18_556 13_666 ?
Mg2 Mg2 Mg1 63.07(4) 21 13_666 ?
Mg3 Mg2 Mg1 55.69(6) 5 13_666 ?
Mg3 Mg2 Mg1 102.96(8) 14 13_666 ?
Au1 Mg2 Mg1 103.83(8) 4_655 4_664 ?
Au1 Mg2 Mg1 57.52(5) . 4_664 ?
Mg2 Mg2 Mg1 63.98(4) 20_655 4_664 ?
Mg3 Mg2 Mg1 104.41(6) 3 4_664 ?
Mg3 Mg2 Mg1 158.26(8) 18_556 4_664 ?
Mg2 Mg2 Mg1 63.07(4) 21 4_664 ?
Mg3 Mg2 Mg1 102.96(8) 5 4_664 ?
Mg3 Mg2 Mg1 55.69(6) 14 4_664 ?
Mg1 Mg2 Mg1 53.86(11) 13_666 4_664 ?
Au1 Mg2 La2 72.52(4) 4_655 1_545 ?
Au1 Mg2 La2 72.52(4) . 1_545 ?
Mg2 Mg2 La2 64.98(4) 20_655 1_545 ?
Mg3 Mg2 La2 66.64(6) 3 1_545 ?
Mg3 Mg2 La2 66.64(6) 18_556 1_545 ?
Mg2 Mg2 La2 175.02(4) 21 1_545 ?
Mg3 Mg2 La2 118.76(4) 5 1_545 ?
Mg3 Mg2 La2 118.76(4) 14 1_545 ?
Mg1 Mg2 La2 121.19(6) 13_666 1_545 ?
Mg1 Mg2 La2 121.19(6) 4_664 1_545 ?
Au1 Mg2 La1A 119.88(4) 4_655 . ?
Au1 Mg2 La1A 119.88(4) . . ?
Mg2 Mg2 La1A 175.53(3) 20_655 . ?
Mg3 Mg2 La1A 69.16(6) 3 . ?
Mg3 Mg2 La1A 69.16(6) 18_556 . ?
Mg2 Mg2 La1A 64.47(3) 21 . ?
Mg3 Mg2 La1A 74.26(6) 5 . ?
Mg3 Mg2 La1A 74.26(6) 14 . ?
Mg1 Mg2 La1A 119.86(5) 13_666 . ?
Mg1 Mg2 La1A 119.86(5) 4_664 . ?
La2 Mg2 La1A 110.55(6) 1_545 . ?
Au1 Mg3 Au1 122.65(8) 3_665 2 ?
Au1 Mg3 Mg3 167.17(13) 3_665 15 ?
Au1 Mg3 Mg3 58.09(4) 2 15 ?
Au1 Mg3 Mg3 58.09(4) 3_665 14 ?
Au1 Mg3 Mg3 167.17(13) 2 14 ?
Mg3 Mg3 Mg3 117.94(4) 15 14 ?
Au1 Mg3 Mg2 59.24(4) 3_665 21 ?
Au1 Mg3 Mg2 130.33(9) 2 21 ?
Mg3 Mg3 Mg2 131.59(10) 15 21 ?
Mg3 Mg3 Mg2 62.10(7) 14 21 ?
Au1 Mg3 Mg2 130.33(9) 3_665 2 ?
Au1 Mg3 Mg2 59.24(4) 2 2 ?
Mg3 Mg3 Mg2 62.10(7) 15 2 ?
Mg3 Mg3 Mg2 131.59(10) 14 2 ?
Mg2 Mg3 Mg2 82.65(9) 21 2 ?
Au1 Mg3 Mg1 62.23(4) 3_665 16_556 ?
Au1 Mg3 Mg1 62.23(4) 2 16_556 ?
Mg3 Mg3 Mg1 113.49(6) 15 16_556 ?
Mg3 Mg3 Mg1 113.49(6) 14 16_556 ?
Mg2 Mg3 Mg1 108.29(8) 21 16_556 ?
Mg2 Mg3 Mg1 108.29(8) 2 16_556 ?
Au1 Mg3 Mg1A 118.54(4) 3_665 . ?
Au1 Mg3 Mg1A 118.54(4) 2 . ?
Mg3 Mg3 Mg1A 63.71(10) 15 . ?
Mg3 Mg3 Mg1A 63.71(10) 14 . ?
Mg2 Mg3 Mg1A 78.0(3) 21 . ?
Mg2 Mg3 Mg1A 78.0(3) 2 . ?
Mg1 Mg3 Mg1A 171.4(3) 16_556 . ?
Au1 Mg3 Mg2 109.29(7) 3_665 7 ?
Au1 Mg3 Mg2 58.18(4) 2 7 ?
Mg3 Mg3 Mg2 59.23(8) 15 7 ?
Mg3 Mg3 Mg2 109.02(11) 14 7 ?
Mg2 Mg3 Mg2 167.73(8) 21 7 ?
Mg2 Mg3 Mg2 109.37(4) 2 7 ?
Mg1 Mg3 Mg2 66.29(8) 16_556 7 ?
Mg1A Mg3 Mg2 106.4(3) . 7 ?
Au1 Mg3 Mg2 58.18(4) 3_665 15 ?
Au1 Mg3 Mg2 109.29(7) 2 15 ?
Mg3 Mg3 Mg2 109.02(11) 15 15 ?
Mg3 Mg3 Mg2 59.23(8) 14 15 ?
Mg2 Mg3 Mg2 109.37(4) 21 15 ?
Mg2 Mg3 Mg2 167.73(8) 2 15 ?
Mg1 Mg3 Mg2 66.29(8) 16_556 15 ?
Mg1A Mg3 Mg2 106.4(3) . 15 ?
Mg2 Mg3 Mg2 58.52(8) 7 15 ?
Au1 Mg3 Mg1A 114.23(10) 3_665 13 ?
Au1 Mg3 Mg1A 114.23(10) 2 13 ?
Mg3 Mg3 Mg1A 59.14(3) 15 13 ?
Mg3 Mg3 Mg1A 59.14(3) 14 13 ?
Mg2 Mg3 Mg1A 105.1(2) 21 13 ?
Mg2 Mg3 Mg1A 105.1(2) 2 13 ?
Mg1 Mg3 Mg1A 135.0(3) 16_556 13 ?
Mg1A Mg3 Mg1A 36.5(7) . 13 ?
Mg2 Mg3 Mg1A 74.7(3) 7 13 ?
Mg2 Mg3 Mg1A 74.7(3) 15 13 ?
Au1 Mg3 La2 71.40(5) 3_665 . ?
Au1 Mg3 La2 71.40(5) 2 . ?
Mg3 Mg3 La2 118.37(6) 15 . ?
Mg3 Mg3 La2 118.37(6) 14 . ?
Mg2 Mg3 La2 62.80(6) 21 . ?
Mg2 Mg3 La2 62.80(6) 2 . ?
Mg1 Mg3 La2 62.19(7) 16_556 . ?
Mg1A Mg3 La2 126.4(3) . . ?
Mg2 Mg3 La2 119.81(7) 7 . ?
Mg2 Mg3 La2 119.81(7) 15 . ?
Mg1A Mg3 La2 162.8(3) 13 . ?

_refine_diff_density_max         3.115
_refine_diff_density_min         -1.416
_refine_diff_density_rms         0.237

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1993023'
loop_
_audit_author_name
_audit_author_address
'Pavlo Solokha'
;University of Genoa
Italy
;
_audit_update_record             
;
2020-03-26 deposited with the CCDC.	2020-07-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_sum            'Au La Mg2'
_chemical_formula_weight         384.50

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           63
_space_group_name_H-M_alt        'C m c m'
_space_group_name_Hall           '-C 2c 2'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y, z-1/2'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z-1/2'
'x+1/2, -y+1/2, z-1/2'
'-x+1/2, y+1/2, z'

_cell_length_a                   4.5270(9)
_cell_length_b                   10.633(2)
_cell_length_c                   8.1096(16)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     390.38(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    367
_cell_measurement_theta_min      3.832
_cell_measurement_theta_max      31.289

_exptl_crystal_description       'irregularly shaped'
_exptl_crystal_colour            'metallic luster'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    6.542
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    48.394
_exptl_absorpt_correction_T_min  0.2
_exptl_absorpt_correction_T_max  0.68

_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            4313
_diffrn_reflns_av_unetI/netI     0.0250
_diffrn_reflns_av_R_equivalents  0.0497
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         3.832
_diffrn_reflns_theta_max         31.289
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             377
_reflns_number_gt                367
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0241P)²+0.1778P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0020(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         377
_refine_ls_number_parameters     16
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0187
_refine_ls_R_factor_gt           0.0178
_refine_ls_wR_factor_ref         0.0422
_refine_ls_wR_factor_gt          0.0419
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au 0.0000 0.77164(2) 0.2500 0.01224(12) Uani 1 4 d S T P . .
La La 0.0000 0.05961(4) 0.2500 0.01374(13) Uani 1 4 d S T P . .
Mg Mg 0.0000 0.35019(17) 0.0553(2) 0.0135(4) Uani 1 2 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au Mg 2.794(2) 9_565 ?
Au Mg 2.794(2) 2_565 ?
Au Mg 2.8835(13) 14_556 ?
Au Mg 2.8835(13) 5_455 ?
Au Mg 2.8835(13) 5 ?
Au Mg 2.8835(13) 14_456 ?
Au La 3.0621(8) 1_565 ?
Au La 3.1948(6) 5_455 ?
Au La 3.1948(6) 5 ?
La Au 3.0621(8) 1_545 ?
La Au 3.1948(6) 5_545 ?
La Au 3.1948(6) 5_445 ?
La Mg 3.470(2) . ?
La Mg 3.470(2) 10_556 ?
La Mg 3.4890(16) 6 ?
La Mg 3.4890(16) 13_455 ?
La Mg 3.4890(16) 6_455 ?
La Mg 3.4890(16) 13 ?
La Mg 3.5461(15) 5_445 ?
La Mg 3.5461(15) 14_446 ?
La Mg 3.5461(15) 14_546 ?
Mg Au 2.794(2) 9_565 ?
Mg Au 2.8834(13) 5_545 ?
Mg Au 2.8834(13) 5_445 ?
Mg Mg 3.158(4) 10_556 ?
Mg Mg 3.235(3) 13_455 ?
Mg Mg 3.235(3) 13 ?
Mg Mg 3.310(4) 9_565 ?
Mg La 3.4890(16) 13_455 ?
Mg La 3.4890(16) 13 ?
Mg La 3.5461(15) 5 ?
Mg La 3.5461(15) 5_455 ?

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_3
_geom_angle_publ_flag
Mg Au Mg 124.76(8) 9_565 2_565 ?
Mg Au Mg 128.28(3) 9_565 14_556 ?
Mg Au Mg 69.46(4) 2_565 14_556 ?
Mg Au Mg 69.46(4) 9_565 5_455 ?
Mg Au Mg 128.28(3) 2_565 5_455 ?
Mg Au Mg 146.32(7) 14_556 5_455 ?
Mg Au Mg 69.46(4) 9_565 5 ?
Mg Au Mg 128.28(3) 2_565 5 ?
Mg Au Mg 66.40(7) 14_556 5 ?
Mg Au Mg 103.44(6) 5_455 5 ?
Mg Au Mg 128.28(3) 9_565 14_456 ?
Mg Au Mg 69.46(4) 2_565 14_456 ?
Mg Au Mg 103.44(6) 14_556 14_456 ?
Mg Au Mg 66.40(7) 5_455 14_456 ?
Mg Au Mg 146.32(7) 5 14_456 ?
Mg Au La 117.62(4) 9_565 1_565 ?
Mg Au La 117.62(4) 2_565 1_565 ?
Mg Au La 73.16(4) 14_556 1_565 ?
Mg Au La 73.16(4) 5_455 1_565 ?
Mg Au La 73.16(4) 5 1_565 ?
Mg Au La 73.16(4) 14_456 1_565 ?
Mg Au La 70.90(3) 9_565 5_455 ?
Mg Au La 70.90(3) 2_565 5_455 ?
Mg Au La 139.52(4) 14_556 5_455 ?
Mg Au La 69.41(3) 5_455 5_455 ?
Mg Au La 139.52(4) 5 5_455 ?
Mg Au La 69.41(3) 14_456 5_455 ?
La Au La 134.887(10) 1_565 5_455 ?
Mg Au La 70.90(3) 9_565 5 ?
Mg Au La 70.90(3) 2_565 5 ?
Mg Au La 69.41(3) 14_556 5 ?
Mg Au La 139.52(4) 5_455 5 ?
Mg Au La 69.41(3) 5 5 ?
Mg Au La 139.52(4) 14_456 5 ?
La Au La 134.887(10) 1_565 5 ?
La Au La 90.23(2) 5_455 5 ?
Au La Au 134.888(10) 1_545 5_545 ?
Au La Au 134.888(10) 1_545 5_445 ?
Au La Au 90.22(2) 5_545 5_445 ?
Au La Mg 152.93(3) 1_545 . ?
Au La Mg 51.066(17) 5_545 . ?
Au La Mg 51.066(17) 5_445 . ?
Au La Mg 152.93(3) 1_545 10_556 ?
Au La Mg 51.066(17) 5_545 10_556 ?
Au La Mg 51.066(16) 5_445 10_556 ?
Mg La Mg 54.13(7) . 10_556 ?
Au La Mg 105.96(3) 1_545 6 ?
Au La Mg 49.18(3) 5_545 6 ?
Au La Mg 105.41(3) 5_445 6 ?
Mg La Mg 94.48(2) . 6 ?
Mg La Mg 55.41(4) 10_556 6 ?
Au La Mg 105.96(3) 1_545 13_455 ?
Au La Mg 105.41(3) 5_545 13_455 ?
Au La Mg 49.18(3) 5_445 13_455 ?
Mg La Mg 55.41(4) . 13_455 ?
Mg La Mg 94.48(2) 10_556 13_455 ?
Mg La Mg 148.09(6) 6 13_455 ?
Au La Mg 105.96(3) 1_545 6_455 ?
Au La Mg 105.41(3) 5_545 6_455 ?
Au La Mg 49.18(3) 5_445 6_455 ?
Mg La Mg 94.48(2) . 6_455 ?
Mg La Mg 55.41(4) 10_556 6_455 ?
Mg La Mg 80.90(5) 6 6_455 ?
Mg La Mg 90.41(5) 13_455 6_455 ?
Au La Mg 105.96(3) 1_545 13 ?
Au La Mg 49.18(3) 5_545 13 ?
Au La Mg 105.41(3) 5_445 13 ?
Mg La Mg 55.41(4) . 13 ?
Mg La Mg 94.48(2) 10_556 13 ?
Mg La Mg 90.41(5) 6 13 ?
Mg La Mg 80.90(5) 13_455 13 ?
Mg La Mg 148.09(6) 6_455 13 ?
Au La Mg 51.10(3) 1_545 5_445 ?
Au La Mg 153.56(3) 5_545 5_445 ?
Au La Mg 89.48(2) 5_445 5_445 ?
Mg La Mg 110.89(5) . 5_445 ?
Mg La Mg 139.62(2) 10_556 5_445 ?
Mg La Mg 154.51(4) 6 5_445 ?
Mg La Mg 56.12(5) 13_455 5_445 ?
Mg La Mg 94.27(3) 6_455 5_445 ?
Mg La Mg 105.71(2) 13 5_445 ?
Au La Mg 51.10(3) 1_545 14_446 ?
Au La Mg 153.56(3) 5_545 14_446 ?
Au La Mg 89.48(2) 5_445 14_446 ?
Mg La Mg 139.62(2) . 14_446 ?
Mg La Mg 110.89(5) 10_556 14_446 ?
Mg La Mg 105.71(2) 6 14_446 ?
Mg La Mg 94.27(3) 13_455 14_446 ?
Mg La Mg 56.12(5) 6_455 14_446 ?
Mg La Mg 154.51(4) 13 14_446 ?
Mg La Mg 52.88(6) 5_445 14_446 ?
Au La Mg 51.10(3) 1_545 14_546 ?
Au La Mg 89.48(3) 5_545 14_546 ?
Au La Mg 153.56(3) 5_445 14_546 ?
Mg La Mg 139.62(2) . 14_546 ?
Mg La Mg 110.89(5) 10_556 14_546 ?
Mg La Mg 56.12(5) 6 14_546 ?
Mg La Mg 154.51(4) 13_455 14_546 ?
Mg La Mg 105.71(2) 6_455 14_546 ?
Mg La Mg 94.27(3) 13 14_546 ?
Mg La Mg 102.20(5) 5_445 14_546 ?
Mg La Mg 79.33(4) 14_446 14_546 ?
Au Mg Au 110.54(4) 9_565 5_545 ?
Au Mg Au 110.54(4) 9_565 5_445 ?
Au Mg Au 103.44(6) 5_545 5_445 ?
Au Mg Mg 152.38(4) 9_565 10_556 ?
Au Mg Mg 56.80(3) 5_545 10_556 ?
Au Mg Mg 56.80(3) 5_445 10_556 ?
Au Mg Mg 56.57(6) 9_565 13_455 ?
Au Mg Mg 120.68(9) 5_545 13_455 ?
Au Mg Mg 53.97(4) 5_445 13_455 ?
Mg Mg Mg 106.09(7) 10_556 13_455 ?
Au Mg Mg 56.57(6) 9_565 13 ?
Au Mg Mg 53.97(4) 5_545 13 ?
Au Mg Mg 120.68(9) 5_445 13 ?
Mg Mg Mg 106.09(7) 10_556 13 ?
Mg Mg Mg 88.79(9) 13_455 13 ?
Au Mg Mg 101.90(9) 9_565 9_565 ?
Au Mg Mg 115.29(5) 5_545 9_565 ?
Au Mg Mg 115.29(5) 5_445 9_565 ?
Mg Mg Mg 105.72(7) 10_556 9_565 ?
Mg Mg Mg 123.97(8) 13_455 9_565 ?
Mg Mg Mg 123.97(8) 13 9_565 ?
Au Mg La 89.45(5) 9_565 . ?
Au Mg La 59.53(3) 5_545 . ?
Au Mg La 59.53(3) 5_445 . ?
Mg Mg La 62.93(3) 10_556 . ?
Mg Mg La 62.59(6) 13_455 . ?
Mg Mg La 62.59(6) 13 . ?
Mg Mg La 168.66(10) 9_565 . ?
Au Mg La 59.91(4) 9_565 13_455 ?
Au Mg La 167.82(6) 5_545 13_455 ?
Au Mg La 87.647(18) 5_445 13_455 ?
Mg Mg La 135.20(3) 10_556 13_455 ?
Mg Mg La 62.00(5) 13_455 13_455 ?
Mg Mg La 115.99(9) 13 13_455 ?
Mg Mg La 62.81(5) 9_565 13_455 ?
La Mg La 124.59(4) . 13_455 ?
Au Mg La 59.91(4) 9_565 13 ?
Au Mg La 87.647(18) 5_545 13 ?
Au Mg La 167.82(6) 5_445 13 ?
Mg Mg La 135.20(3) 10_556 13 ?
Mg Mg La 115.99(9) 13_455 13 ?
Mg Mg La 62.00(5) 13 13 ?
Mg Mg La 62.81(5) 9_565 13 ?
La Mg La 124.59(4) . 13 ?
La Mg La 80.90(5) 13_455 13 ?
Au Mg La 133.29(4) 9_565 5 ?
Au Mg La 55.74(3) 5_545 5 ?
Au Mg La 116.05(6) 5_445 5 ?
Mg Mg La 63.56(3) 10_556 5 ?
Mg Mg La 169.59(10) 13_455 5 ?
Mg Mg La 95.19(3) 13 5 ?
Mg Mg La 61.07(4) 9_565 5 ?
La Mg La 110.89(5) . 5 ?
La Mg La 123.88(5) 13_455 5 ?
La Mg La 74.29(2) 13 5 ?
Au Mg La 133.29(4) 9_565 5_455 ?
Au Mg La 116.05(6) 5_545 5_455 ?
Au Mg La 55.74(3) 5_445 5_455 ?
Mg Mg La 63.56(3) 10_556 5_455 ?
Mg Mg La 95.19(3) 13_455 5_455 ?
Mg Mg La 169.59(10) 13 5_455 ?
Mg Mg La 61.07(4) 9_565 5_455 ?
La Mg La 110.89(5) . 5_455 ?
La Mg La 74.29(2) 13_455 5_455 ?
La Mg La 123.88(5) 13 5_455 ?
La Mg La 79.33(4) 5 5_455 ?

_refine_diff_density_max         1.684
_refine_diff_density_min         -1.383
_refine_diff_density_rms         0.314

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 1993030'
loop_
_audit_author_name
_audit_author_address
'Pavlo Solokha'
;University of Genoa
Italy
;
_audit_update_record             
;
2020-03-26 deposited with the CCDC.	2020-07-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_sum            'Au La Mg'
_chemical_formula_weight         360.19

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      hexagonal
_space_group_IT_number           189
_space_group_name_H-M_alt        'P -6 2 m'
_space_group_name_Hall           'P -6 -2'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x, y, -z'
'-y, x-y, -z'
'-x+y, -x, -z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'y, x, z'
'x-y, -y, z'
'-x, -x+y, z'

_cell_length_a                   7.7976(11)
_cell_length_b                   7.7976(11)
_cell_length_c                   4.2547(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     224.04(8)
_cell_formula_units_Z            3
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    302
_cell_measurement_theta_min      3.017
_cell_measurement_theta_max      31.340

_exptl_crystal_description       'irregularly shaped'
_exptl_crystal_colour            'metallic luster'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    8.009
_exptl_crystal_F_000             444
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    63.023
_exptl_absorpt_correction_T_min  0.20
_exptl_absorpt_correction_T_max  0.68

_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            5010
_diffrn_reflns_av_unetI/netI     0.0294
_diffrn_reflns_av_R_equivalents  0.0548
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_theta_min         3.017
_diffrn_reflns_theta_max         31.340
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             304
_reflns_number_gt                302
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.696
_reflns_Friedel_fraction_max     0.992
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0045(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.026(14)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         304
_refine_ls_number_parameters     15
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0142
_refine_ls_R_factor_gt           0.0139
_refine_ls_wR_factor_ref         0.0278
_refine_ls_wR_factor_gt          0.0276
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_restrained_S_all      0.962
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
La1 La 0.58449(9) 0.0000 0.0000 0.01286(17) Uani 1 4 d S T P . .
Mg1 Mg 0.2390(5) 0.0000 0.5000 0.0134(8) Uani 1 4 d S T P . .
Au1 Au 0.3333 0.6667 0.5000 0.01323(14) Uani 1 6 d S T P . .
Au2 Au 0.0000 0.0000 0.0000 0.01293(16) Uani 1 12 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
La1 Au1 3.1665(4) 1_544 ?
La1 Au1 3.1665(4) 1_545 ?
La1 Au1 3.1665(4) 7_556 ?
La1 Au1 3.1665(4) 7 ?
La1 Au2 3.2400(8) 1_655 ?
La1 Mg1 3.432(3) 1_554 ?
La1 Mg1 3.432(3) . ?
La1 Mg1 3.5296(6) 2_655 ?
La1 Mg1 3.5296(6) 3_654 ?
La1 Mg1 3.5296(6) 3_655 ?
La1 Mg1 3.5296(6) 2_654 ?
La1 La1 4.0623(7) 2_655 ?
Mg1 Au2 2.828(3) . ?
Mg1 Au2 2.828(3) 1_556 ?
Mg1 Au1 3.034(3) 7_556 ?
Mg1 Au1 3.034(3) 1_545 ?
Mg1 Mg1 3.229(7) 3 ?
Mg1 Mg1 3.229(7) 2 ?
Mg1 La1 3.432(3) 1_556 ?
Mg1 La1 3.5296(6) 2_545 ?
Mg1 La1 3.5296(6) 3_666 ?
Mg1 La1 3.5296(6) 2_546 ?
Mg1 La1 3.5296(6) 3_665 ?
Au1 Mg1 3.034(3) 1_565 ?
Au1 Mg1 3.034(3) 2 ?
Au1 Mg1 3.034(3) 3_665 ?
Au1 La1 3.1665(4) 2 ?
Au1 La1 3.1665(4) 1_566 ?
Au1 La1 3.1665(4) 2_556 ?
Au1 La1 3.1665(4) 1_565 ?
Au1 La1 3.1665(4) 3_665 ?
Au1 La1 3.1665(4) 3_666 ?
Au2 Mg1 2.828(3) 3_554 ?
Au2 Mg1 2.828(3) 2 ?
Au2 Mg1 2.828(3) 2_554 ?
Au2 Mg1 2.828(3) 1_554 ?
Au2 Mg1 2.828(3) 3 ?
Au2 La1 3.2400(8) 3_665 ?
Au2 La1 3.2400(8) 2_545 ?
Au2 La1 3.2400(8) 1_455 ?

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_3
_geom_angle_publ_flag
Au1 La1 Au1 84.418(16) 1_544 1_545 ?
Au1 La1 Au1 155.98(2) 1_544 7_556 ?
Au1 La1 Au1 90.613(15) 1_545 7_556 ?
Au1 La1 Au1 90.613(14) 1_544 7 ?
Au1 La1 Au1 155.98(2) 1_545 7 ?
Au1 La1 Au1 84.417(15) 7_556 7 ?
Au1 La1 Au2 102.008(12) 1_544 1_655 ?
Au1 La1 Au2 102.008(12) 1_545 1_655 ?
Au1 La1 Au2 102.009(12) 7_556 1_655 ?
Au1 La1 Au2 102.009(12) 7 1_655 ?
Au1 La1 Mg1 54.57(2) 1_544 1_554 ?
Au1 La1 Mg1 104.66(3) 1_545 1_554 ?
Au1 La1 Mg1 104.66(3) 7_556 1_554 ?
Au1 La1 Mg1 54.57(2) 7 1_554 ?
Au2 La1 Mg1 141.70(4) 1_655 1_554 ?
Au1 La1 Mg1 104.66(3) 1_544 . ?
Au1 La1 Mg1 54.57(2) 1_545 . ?
Au1 La1 Mg1 54.57(2) 7_556 . ?
Au1 La1 Mg1 104.66(3) 7 . ?
Au2 La1 Mg1 141.70(4) 1_655 . ?
Mg1 La1 Mg1 76.60(8) 1_554 . ?
Au1 La1 Mg1 150.01(6) 1_544 2_655 ?
Au1 La1 Mg1 93.22(4) 1_545 2_655 ?
Au1 La1 Mg1 53.56(5) 7_556 2_655 ?
Au1 La1 Mg1 102.47(5) 7 2_655 ?
Au2 La1 Mg1 49.16(5) 1_655 2_655 ?
Mg1 La1 Mg1 152.46(6) 1_554 2_655 ?
Mg1 La1 Mg1 98.02(6) . 2_655 ?
Au1 La1 Mg1 53.56(5) 1_544 3_654 ?
Au1 La1 Mg1 102.46(5) 1_545 3_654 ?
Au1 La1 Mg1 150.01(6) 7_556 3_654 ?
Au1 La1 Mg1 93.22(4) 7 3_654 ?
Au2 La1 Mg1 49.16(5) 1_655 3_654 ?
Mg1 La1 Mg1 98.02(6) 1_554 3_654 ?
Mg1 La1 Mg1 152.46(6) . 3_654 ?
Mg1 La1 Mg1 98.33(10) 2_655 3_654 ?
Au1 La1 Mg1 102.46(5) 1_544 3_655 ?
Au1 La1 Mg1 53.56(5) 1_545 3_655 ?
Au1 La1 Mg1 93.22(4) 7_556 3_655 ?
Au1 La1 Mg1 150.01(6) 7 3_655 ?
Au2 La1 Mg1 49.16(5) 1_655 3_655 ?
Mg1 La1 Mg1 152.46(6) 1_554 3_655 ?
Mg1 La1 Mg1 98.02(6) . 3_655 ?
Mg1 La1 Mg1 54.43(12) 2_655 3_655 ?
Mg1 La1 Mg1 74.128(19) 3_654 3_655 ?
Au1 La1 Mg1 93.22(4) 1_544 2_654 ?
Au1 La1 Mg1 150.01(6) 1_545 2_654 ?
Au1 La1 Mg1 102.47(5) 7_556 2_654 ?
Au1 La1 Mg1 53.56(5) 7 2_654 ?
Au2 La1 Mg1 49.16(5) 1_655 2_654 ?
Mg1 La1 Mg1 98.02(6) 1_554 2_654 ?
Mg1 La1 Mg1 152.46(6) . 2_654 ?
Mg1 La1 Mg1 74.128(19) 2_655 2_654 ?
Mg1 La1 Mg1 54.43(12) 3_654 2_654 ?
Mg1 La1 Mg1 98.33(10) 3_655 2_654 ?
Au1 La1 La1 137.725(7) 1_544 2_655 ?
Au1 La1 La1 137.725(8) 1_545 2_655 ?
Au1 La1 La1 50.099(6) 7_556 2_655 ?
Au1 La1 La1 50.099(6) 7 2_655 ?
Au2 La1 La1 76.313(16) 1_655 2_655 ?
Mg1 La1 La1 100.701(13) 1_554 2_655 ?
Mg1 La1 La1 100.701(13) . 2_655 ?
Mg1 La1 La1 53.20(5) 2_655 2_655 ?
Mg1 La1 La1 106.84(7) 3_654 2_655 ?
Mg1 La1 La1 106.84(7) 3_655 2_655 ?
Mg1 La1 La1 53.20(5) 2_654 2_655 ?
Au2 Mg1 Au2 97.55(12) . 1_556 ?
Au2 Mg1 Au1 116.227(6) . 7_556 ?
Au2 Mg1 Au1 116.227(5) 1_556 7_556 ?
Au2 Mg1 Au1 116.227(6) . 1_545 ?
Au2 Mg1 Au1 116.227(6) 1_556 1_545 ?
Au1 Mg1 Au1 95.78(11) 7_556 1_545 ?
Au2 Mg1 Mg1 55.20(5) . 3 ?
Au2 Mg1 Mg1 55.20(5) 1_556 3 ?
Au1 Mg1 Mg1 162.11(6) 7_556 3 ?
Au1 Mg1 Mg1 102.11(5) 1_545 3 ?
Au2 Mg1 Mg1 55.20(5) . 2 ?
Au2 Mg1 Mg1 55.20(5) 1_556 2 ?
Au1 Mg1 Mg1 102.11(6) 7_556 2 ?
Au1 Mg1 Mg1 162.11(5) 1_545 2 ?
Mg1 Mg1 Mg1 60.0 3 2 ?
Au2 Mg1 La1 169.53(10) . 1_556 ?
Au2 Mg1 La1 92.92(3) 1_556 1_556 ?
Au1 Mg1 La1 58.25(6) 7_556 1_556 ?
Au1 Mg1 La1 58.25(6) 1_545 1_556 ?
Mg1 Mg1 La1 132.81(3) 3 1_556 ?
Mg1 Mg1 La1 132.81(3) 2 1_556 ?
Au2 Mg1 La1 92.92(3) . . ?
Au2 Mg1 La1 169.53(10) 1_556 . ?
Au1 Mg1 La1 58.25(6) 7_556 . ?
Au1 Mg1 La1 58.25(6) 1_545 . ?
Mg1 Mg1 La1 132.81(3) 3 . ?
Mg1 Mg1 La1 132.81(3) 2 . ?
La1 Mg1 La1 76.60(8) 1_556 . ?
Au2 Mg1 La1 60.07(3) . 2_545 ?
Au2 Mg1 La1 114.06(8) 1_556 2_545 ?
Au1 Mg1 La1 129.50(9) 7_556 2_545 ?
Au1 Mg1 La1 57.087(19) 1_545 2_545 ?
Mg1 Mg1 La1 62.78(6) 3 2_545 ?
Mg1 Mg1 La1 109.73(6) 2 2_545 ?
La1 Mg1 La1 115.33(7) 1_556 2_545 ?
La1 Mg1 La1 71.38(3) . 2_545 ?
Au2 Mg1 La1 114.06(8) . 3_666 ?
Au2 Mg1 La1 60.07(3) 1_556 3_666 ?
Au1 Mg1 La1 57.086(19) 7_556 3_666 ?
Au1 Mg1 La1 129.50(9) 1_545 3_666 ?
Mg1 Mg1 La1 109.73(6) 3 3_666 ?
Mg1 Mg1 La1 62.78(6) 2 3_666 ?
La1 Mg1 La1 71.38(3) 1_556 3_666 ?
La1 Mg1 La1 115.33(7) . 3_666 ?
La1 Mg1 La1 172.07(13) 2_545 3_666 ?
Au2 Mg1 La1 114.06(8) . 2_546 ?
Au2 Mg1 La1 60.07(3) 1_556 2_546 ?
Au1 Mg1 La1 129.50(9) 7_556 2_546 ?
Au1 Mg1 La1 57.087(19) 1_545 2_546 ?
Mg1 Mg1 La1 62.78(6) 3 2_546 ?
Mg1 Mg1 La1 109.73(6) 2 2_546 ?
La1 Mg1 La1 71.38(3) 1_556 2_546 ?
La1 Mg1 La1 115.33(7) . 2_546 ?
La1 Mg1 La1 74.128(19) 2_545 2_546 ?
La1 Mg1 La1 105.30(2) 3_666 2_546 ?
Au2 Mg1 La1 60.07(3) . 3_665 ?
Au2 Mg1 La1 114.06(8) 1_556 3_665 ?
Au1 Mg1 La1 57.086(19) 7_556 3_665 ?
Au1 Mg1 La1 129.50(9) 1_545 3_665 ?
Mg1 Mg1 La1 109.73(6) 3 3_665 ?
Mg1 Mg1 La1 62.78(6) 2 3_665 ?
La1 Mg1 La1 115.33(7) 1_556 3_665 ?
La1 Mg1 La1 71.38(3) . 3_665 ?
La1 Mg1 La1 105.30(2) 2_545 3_665 ?
La1 Mg1 La1 74.128(19) 3_666 3_665 ?
La1 Mg1 La1 172.07(13) 2_546 3_665 ?
Mg1 Au1 Mg1 120.0 1_565 2 ?
Mg1 Au1 Mg1 120.000(1) 1_565 3_665 ?
Mg1 Au1 Mg1 120.0 2 3_665 ?
Mg1 Au1 La1 69.35(4) 1_565 2 ?
Mg1 Au1 La1 67.18(4) 2 2 ?
Mg1 Au1 La1 137.767(8) 3_665 2 ?
Mg1 Au1 La1 67.18(4) 1_565 1_566 ?
Mg1 Au1 La1 137.767(8) 2 1_566 ?
Mg1 Au1 La1 69.35(4) 3_665 1_566 ?
La1 Au1 La1 136.526(6) 2 1_566 ?
Mg1 Au1 La1 69.35(4) 1_565 2_556 ?
Mg1 Au1 La1 67.18(4) 2 2_556 ?
Mg1 Au1 La1 137.767(8) 3_665 2_556 ?
La1 Au1 La1 84.418(15) 2 2_556 ?
La1 Au1 La1 79.802(11) 1_566 2_556 ?
Mg1 Au1 La1 67.18(4) 1_565 1_565 ?
Mg1 Au1 La1 137.767(8) 2 1_565 ?
Mg1 Au1 La1 69.35(4) 3_665 1_565 ?
La1 Au1 La1 79.802(11) 2 1_565 ?
La1 Au1 La1 84.418(15) 1_566 1_565 ?
La1 Au1 La1 136.526(5) 2_556 1_565 ?
Mg1 Au1 La1 137.767(8) 1_565 3_665 ?
Mg1 Au1 La1 69.35(4) 2 3_665 ?
Mg1 Au1 La1 67.18(4) 3_665 3_665 ?
La1 Au1 La1 79.802(12) 2 3_665 ?
La1 Au1 La1 136.526(5) 1_566 3_665 ?
La1 Au1 La1 136.526(6) 2_556 3_665 ?
La1 Au1 La1 79.802(11) 1_565 3_665 ?
Mg1 Au1 La1 137.767(8) 1_565 3_666 ?
Mg1 Au1 La1 69.35(4) 2 3_666 ?
Mg1 Au1 La1 67.18(4) 3_665 3_666 ?
La1 Au1 La1 136.526(6) 2 3_666 ?
La1 Au1 La1 79.802(12) 1_566 3_666 ?
La1 Au1 La1 79.802(12) 2_556 3_666 ?
La1 Au1 La1 136.526(6) 1_565 3_666 ?
La1 Au1 La1 84.418(15) 3_665 3_666 ?
Mg1 Au2 Mg1 141.52(5) . 3_554 ?
Mg1 Au2 Mg1 69.60(10) . 2 ?
Mg1 Au2 Mg1 141.52(5) 3_554 2 ?
Mg1 Au2 Mg1 141.52(5) . 2_554 ?
Mg1 Au2 Mg1 69.60(10) 3_554 2_554 ?
Mg1 Au2 Mg1 97.55(12) 2 2_554 ?
Mg1 Au2 Mg1 97.55(12) . 1_554 ?
Mg1 Au2 Mg1 69.60(10) 3_554 1_554 ?
Mg1 Au2 Mg1 141.52(5) 2 1_554 ?
Mg1 Au2 Mg1 69.60(10) 2_554 1_554 ?
Mg1 Au2 Mg1 69.60(10) . 3 ?
Mg1 Au2 Mg1 97.55(12) 3_554 3 ?
Mg1 Au2 Mg1 69.60(10) 2 3 ?
Mg1 Au2 Mg1 141.52(5) 2_554 3 ?
Mg1 Au2 Mg1 141.52(5) 1_554 3 ?
Mg1 Au2 La1 70.76(2) . 3_665 ?
Mg1 Au2 La1 131.22(6) 3_554 3_665 ?
Mg1 Au2 La1 70.76(2) 2 3_665 ?
Mg1 Au2 La1 70.76(2) 2_554 3_665 ?
Mg1 Au2 La1 70.76(2) 1_554 3_665 ?
Mg1 Au2 La1 131.22(6) 3 3_665 ?
Mg1 Au2 La1 70.76(2) . 2_545 ?
Mg1 Au2 La1 70.76(2) 3_554 2_545 ?
Mg1 Au2 La1 131.22(6) 2 2_545 ?
Mg1 Au2 La1 131.22(6) 2_554 2_545 ?
Mg1 Au2 La1 70.76(2) 1_554 2_545 ?
Mg1 Au2 La1 70.76(2) 3 2_545 ?
La1 Au2 La1 120.0 3_665 2_545 ?
Mg1 Au2 La1 131.22(6) . 1_455 ?
Mg1 Au2 La1 70.76(2) 3_554 1_455 ?
Mg1 Au2 La1 70.76(2) 2 1_455 ?
Mg1 Au2 La1 70.76(2) 2_554 1_455 ?
Mg1 Au2 La1 131.22(6) 1_554 1_455 ?
Mg1 Au2 La1 70.76(2) 3 1_455 ?
La1 Au2 La1 120.0 3_665 1_455 ?
La1 Au2 La1 120.0 2_545 1_455 ?

_refine_diff_density_max         0.873
_refine_diff_density_min         -1.250
_refine_diff_density_rms         0.271

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 1992804'
loop_
_audit_author_name
_audit_author_address
'Pavlo Solokha'
;University of Genoa
Italy
;
_audit_update_record             
;
2020-03-25 deposited with the CCDC.	2020-07-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_sum            'Au3.25 La3 Mg12.75'
_chemical_formula_weight         1366.82

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      hexagonal
_space_group_IT_number           194
_space_group_name_H-M_alt        'P 63/m m c'
_space_group_name_Hall           '-P 6c 2c'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, z-1/2'

_cell_length_a                   9.8073(4)
_cell_length_b                   9.8073(4)
_cell_length_c                   10.4276(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     868.59(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    483
_cell_measurement_theta_min      2.398
_cell_measurement_theta_max      30.223

_exptl_crystal_description       'irregularly shaped'
_exptl_crystal_colour            'metallic luster'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    5.226
_exptl_crystal_F_000             1162
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    34.983
_exptl_absorpt_correction_T_min  0.24
_exptl_absorpt_correction_T_max  0.71

_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23373
_diffrn_reflns_av_unetI/netI     0.0129
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.398
_diffrn_reflns_theta_max         30.223
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             529
_reflns_number_gt                483
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0256P)²+1.9793P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.00075(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         529
_refine_ls_number_parameters     28
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0165
_refine_ls_R_factor_gt           0.0139
_refine_ls_wR_factor_ref         0.0444
_refine_ls_wR_factor_gt          0.0431
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_restrained_S_all      1.082
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
La1 La 0.19767(2) 0.39533(4) 0.2500 0.01272(12) Uani 1 4 d S T P . .
Au2 Au 0.0000 0.0000 0.0000 0.01280(12) Uani 1 12 d S T P . .
Au3 Au 0.5000 0.0000 0.0000 0.01671(16) Uani 0.745(2) 4 d S T P . .
Mg3 Mg 0.5000 0.0000 0.0000 0.01671(16) Uani 0.255(2) 4 d S T P . .
Mg4 Mg 0.15753(9) 0.31506(18) 0.58077(14) 0.0149(3) Uani 1 2 d S T P . .
Mg5 Mg 0.56213(13) 0.1243(3) 0.2500 0.0139(4) Uani 1 4 d S T P . .
Mg6 Mg 0.3333 0.6667 0.0057(2) 0.0182(6) Uani 1 6 d S T P . .
Mg7 Mg 0.0000 0.0000 0.2500 0.0148(7) Uani 1 12 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
La1 Mg7 3.3577(4) . ?
La1 Mg5 3.3851(17) 2 ?
La1 Mg5 3.3851(17) 3_665 ?
La1 Mg6 3.4355(18) 16_556 ?
La1 Mg6 3.4356(18) . ?
La1 Mg4 3.5159(15) . ?
La1 Mg4 3.5159(15) 16_556 ?
La1 Mg4 3.5446(9) 6_554 ?
La1 Mg4 3.5446(9) 5_554 ?
La1 Mg4 3.5446(9) 15_556 ?
La1 Mg4 3.5446(9) 14_556 ?
La1 Au3 3.68750(15) 6 ?
Au2 Mg7 2.60690(12) 13 ?
Au2 Mg7 2.60690(12) . ?
Au2 Mg4 2.8054(15) 17_556 ?
Au2 Mg4 2.8054(15) 5_554 ?
Au2 Mg4 2.8054(15) 4_554 ?
Au2 Mg4 2.8054(15) 16_556 ?
Au2 Mg4 2.8054(15) 6_554 ?
Au2 Mg4 2.8054(15) 18_556 ?
Au3 Mg5 2.8124(8) 13_655 ?
Au3 Mg5 2.8124(8) . ?
Au3 Mg6 2.83176(13) 13_665 ?
Au3 Mg6 2.83176(13) 1_545 ?
Au3 Mg4 3.0312(9) 18_556 ?
Au3 Mg4 3.0312(9) 6_654 ?
Au3 Mg4 3.0312(9) 5_554 ?
Au3 Mg4 3.0312(9) 17_656 ?
Au3 La1 3.68750(15) 14 ?
Au3 La1 3.68750(15) 2_655 ?
Au3 La1 3.68750(15) 15_655 ?
Au3 La1 3.68750(15) 3 ?
Mg4 Au2 2.8054(15) 4 ?
Mg4 Mg3 3.0312(9) 5_565 ?
Mg4 Au3 3.0312(9) 5_565 ?
Mg4 Mg3 3.0312(9) 6 ?
Mg4 Au3 3.0312(9) 6 ?
Mg4 Mg6 3.1193(17) 16_556 ?
Mg4 Mg5 3.1436(13) 15_556 ?
Mg4 Mg5 3.1436(13) 14_566 ?
Mg4 Mg4 3.162(2) 15_556 ?
Mg4 Mg4 3.162(2) 14_556 ?
Mg4 Mg7 3.2054(15) 13_556 ?
Mg5 Mg3 2.8124(8) 4_655 ?
Mg5 Au3 2.8124(8) 4_655 ?
Mg5 Mg5 3.076(4) 2_655 ?
Mg5 Mg5 3.076(4) 3_665 ?
Mg5 Mg4 3.1436(13) 5_554 ?
Mg5 Mg4 3.1436(13) 14_556 ?
Mg5 Mg4 3.1436(13) 15_656 ?
Mg5 Mg4 3.1436(13) 6_654 ?
Mg5 Mg6 3.203(2) 4_665 ?
Mg5 Mg6 3.203(2) 13_665 ?
Mg6 Mg3 2.83174(12) 2 ?
Mg6 Au3 2.83174(12) 2 ?
Mg6 Mg3 2.83174(12) 1_565 ?
Mg6 Au3 2.83174(12) 1_565 ?
Mg6 Mg3 2.83174(13) 3_665 ?
Mg6 Au3 2.83174(13) 3_665 ?
Mg6 Mg4 3.1193(17) 18_566 ?
Mg6 Mg4 3.1193(17) 16_556 ?
Mg6 Mg4 3.1193(17) 17_666 ?
Mg6 Mg5 3.203(2) 14_565 ?
Mg6 Mg5 3.203(2) 13_665 ?
Mg6 Mg5 3.203(2) 15 ?
Mg7 Au2 2.60690(12) 4 ?
Mg7 Mg4 3.2054(15) 4_554 ?
Mg7 Mg4 3.2054(15) 14_556 ?
Mg7 Mg4 3.2054(15) 6_554 ?
Mg7 Mg4 3.2054(15) 5_554 ?
Mg7 Mg4 3.2054(15) 13_556 ?
Mg7 Mg4 3.2054(15) 15_556 ?
Mg7 La1 3.3577(4) 2 ?
Mg7 La1 3.3577(4) 3 ?

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_3
_geom_angle_publ_flag
Mg7 La1 Mg5 96.13(2) . 2 ?
Mg7 La1 Mg5 96.13(2) . 3_665 ?
Mg5 La1 Mg5 167.75(4) 2 3_665 ?
Mg7 La1 Mg6 132.13(3) . 16_556 ?
Mg5 La1 Mg6 85.895(15) 2 16_556 ?
Mg5 La1 Mg6 85.893(15) 3_665 16_556 ?
Mg7 La1 Mg6 132.13(3) . . ?
Mg5 La1 Mg6 85.894(15) 2 . ?
Mg5 La1 Mg6 85.894(15) 3_665 . ?
Mg6 La1 Mg6 95.74(6) 16_556 . ?
Mg7 La1 Mg4 78.82(3) . . ?
Mg5 La1 Mg4 91.186(5) 2 . ?
Mg5 La1 Mg4 91.186(5) 3_665 . ?
Mg6 La1 Mg4 53.31(4) 16_556 . ?
Mg6 La1 Mg4 149.05(4) . . ?
Mg7 La1 Mg4 78.82(3) . 16_556 ?
Mg5 La1 Mg4 91.186(5) 2 16_556 ?
Mg5 La1 Mg4 91.186(5) 3_665 16_556 ?
Mg6 La1 Mg4 149.05(4) 16_556 16_556 ?
Mg6 La1 Mg4 53.31(4) . 16_556 ?
Mg4 La1 Mg4 157.64(5) . 16_556 ?
Mg7 La1 Mg4 55.26(2) . 6_554 ?
Mg5 La1 Mg4 53.90(3) 2 6_554 ?
Mg5 La1 Mg4 135.31(3) 3_665 6_554 ?
Mg6 La1 Mg4 138.72(2) 16_556 6_554 ?
Mg6 La1 Mg4 90.74(3) . 6_554 ?
Mg4 La1 Mg4 112.20(3) . 6_554 ?
Mg4 La1 Mg4 53.21(3) 16_556 6_554 ?
Mg7 La1 Mg4 55.26(2) . 5_554 ?
Mg5 La1 Mg4 135.31(3) 2 5_554 ?
Mg5 La1 Mg4 53.90(3) 3_665 5_554 ?
Mg6 La1 Mg4 138.72(2) 16_556 5_554 ?
Mg6 La1 Mg4 90.74(3) . 5_554 ?
Mg4 La1 Mg4 112.20(2) . 5_554 ?
Mg4 La1 Mg4 53.21(3) 16_556 5_554 ?
Mg4 La1 Mg4 81.66(5) 6_554 5_554 ?
Mg7 La1 Mg4 55.26(2) . 15_556 ?
Mg5 La1 Mg4 53.90(3) 2 15_556 ?
Mg5 La1 Mg4 135.31(3) 3_665 15_556 ?
Mg6 La1 Mg4 90.74(3) 16_556 15_556 ?
Mg6 La1 Mg4 138.72(2) . 15_556 ?
Mg4 La1 Mg4 53.21(3) . 15_556 ?
Mg4 La1 Mg4 112.20(3) 16_556 15_556 ?
Mg4 La1 Mg4 59.72(4) 6_554 15_556 ?
Mg4 La1 Mg4 110.53(4) 5_554 15_556 ?
Mg7 La1 Mg4 55.26(2) . 14_556 ?
Mg5 La1 Mg4 135.31(3) 2 14_556 ?
Mg5 La1 Mg4 53.90(3) 3_665 14_556 ?
Mg6 La1 Mg4 90.74(3) 16_556 14_556 ?
Mg6 La1 Mg4 138.72(2) . 14_556 ?
Mg4 La1 Mg4 53.21(3) . 14_556 ?
Mg4 La1 Mg4 112.20(2) 16_556 14_556 ?
Mg4 La1 Mg4 110.53(4) 6_554 14_556 ?
Mg4 La1 Mg4 59.72(4) 5_554 14_556 ?
Mg4 La1 Mg4 81.66(5) 15_556 14_556 ?
Mg7 La1 Au3 103.950(6) . 6 ?
Mg5 La1 Au3 129.448(10) 2 6 ?
Mg5 La1 Au3 46.620(5) 3_665 6 ?
Mg6 La1 Au3 46.683(11) 16_556 6 ?
Mg6 La1 Au3 111.26(2) . 6 ?
Mg4 La1 Au3 49.700(12) . 6 ?
Mg4 La1 Au3 137.756(4) 16_556 6 ?
Mg4 La1 Au3 157.52(2) 6_554 6 ?
Mg4 La1 Au3 93.13(2) 5_554 6 ?
Mg4 La1 Au3 102.72(2) 15_556 6 ?
Mg4 La1 Au3 49.51(2) 14_556 6 ?
Mg7 Au2 Mg7 180.0 13 . ?
Mg7 Au2 Mg4 72.53(3) 13 17_556 ?
Mg7 Au2 Mg4 107.47(3) . 17_556 ?
Mg7 Au2 Mg4 107.47(3) 13 5_554 ?
Mg7 Au2 Mg4 72.53(3) . 5_554 ?
Mg4 Au2 Mg4 180.00(7) 17_556 5_554 ?
Mg7 Au2 Mg4 107.47(3) 13 4_554 ?
Mg7 Au2 Mg4 72.53(3) . 4_554 ?
Mg4 Au2 Mg4 68.60(3) 17_556 4_554 ?
Mg4 Au2 Mg4 111.40(3) 5_554 4_554 ?
Mg7 Au2 Mg4 72.53(3) 13 16_556 ?
Mg7 Au2 Mg4 107.47(3) . 16_556 ?
Mg4 Au2 Mg4 111.40(3) 17_556 16_556 ?
Mg4 Au2 Mg4 68.60(3) 5_554 16_556 ?
Mg4 Au2 Mg4 180.00(6) 4_554 16_556 ?
Mg7 Au2 Mg4 107.47(3) 13 6_554 ?
Mg7 Au2 Mg4 72.53(3) . 6_554 ?
Mg4 Au2 Mg4 68.60(3) 17_556 6_554 ?
Mg4 Au2 Mg4 111.40(3) 5_554 6_554 ?
Mg4 Au2 Mg4 111.40(3) 4_554 6_554 ?
Mg4 Au2 Mg4 68.60(3) 16_556 6_554 ?
Mg7 Au2 Mg4 72.53(3) 13 18_556 ?
Mg7 Au2 Mg4 107.47(3) . 18_556 ?
Mg4 Au2 Mg4 111.40(3) 17_556 18_556 ?
Mg4 Au2 Mg4 68.60(3) 5_554 18_556 ?
Mg4 Au2 Mg4 68.60(3) 4_554 18_556 ?
Mg4 Au2 Mg4 111.40(3) 16_556 18_556 ?
Mg4 Au2 Mg4 180.00(6) 6_554 18_556 ?
Mg5 Au3 Mg5 180.0 13_655 . ?
Mg5 Au3 Mg6 110.85(6) 13_655 13_665 ?
Mg5 Au3 Mg6 69.15(6) . 13_665 ?
Mg5 Au3 Mg6 69.15(6) 13_655 1_545 ?
Mg5 Au3 Mg6 110.85(6) . 1_545 ?
Mg6 Au3 Mg6 180.0 13_665 1_545 ?
Mg5 Au3 Mg4 64.96(3) 13_655 18_556 ?
Mg5 Au3 Mg4 115.04(3) . 18_556 ?
Mg6 Au3 Mg4 115.82(3) 13_665 18_556 ?
Mg6 Au3 Mg4 64.18(3) 1_545 18_556 ?
Mg5 Au3 Mg4 115.04(3) 13_655 6_654 ?
Mg5 Au3 Mg4 64.96(3) . 6_654 ?
Mg6 Au3 Mg4 64.18(3) 13_665 6_654 ?
Mg6 Au3 Mg4 115.82(3) 1_545 6_654 ?
Mg4 Au3 Mg4 180.00(7) 18_556 6_654 ?
Mg5 Au3 Mg4 115.04(3) 13_655 5_554 ?
Mg5 Au3 Mg4 64.96(3) . 5_554 ?
Mg6 Au3 Mg4 64.18(3) 13_665 5_554 ?
Mg6 Au3 Mg4 115.82(3) 1_545 5_554 ?
Mg4 Au3 Mg4 62.88(5) 18_556 5_554 ?
Mg4 Au3 Mg4 117.12(5) 6_654 5_554 ?
Mg5 Au3 Mg4 64.96(3) 13_655 17_656 ?
Mg5 Au3 Mg4 115.04(3) . 17_656 ?
Mg6 Au3 Mg4 115.82(3) 13_665 17_656 ?
Mg6 Au3 Mg4 64.18(3) 1_545 17_656 ?
Mg4 Au3 Mg4 117.12(5) 18_556 17_656 ?
Mg4 Au3 Mg4 62.88(5) 6_654 17_656 ?
Mg4 Au3 Mg4 180.00(6) 5_554 17_656 ?
Mg5 Au3 La1 61.02(3) 13_655 14 ?
Mg5 Au3 La1 118.98(3) . 14 ?
Mg6 Au3 La1 61.97(4) 13_665 14 ?
Mg6 Au3 La1 118.03(4) 1_545 14 ?
Mg4 Au3 La1 62.79(2) 18_556 14 ?
Mg4 Au3 La1 117.21(2) 6_654 14 ?
Mg4 Au3 La1 62.21(3) 5_554 14 ?
Mg4 Au3 La1 117.79(3) 17_656 14 ?
Mg5 Au3 La1 118.98(3) 13_655 2_655 ?
Mg5 Au3 La1 61.02(3) . 2_655 ?
Mg6 Au3 La1 118.03(4) 13_665 2_655 ?
Mg6 Au3 La1 61.97(4) 1_545 2_655 ?
Mg4 Au3 La1 117.21(2) 18_556 2_655 ?
Mg4 Au3 La1 62.79(2) 6_654 2_655 ?
Mg4 Au3 La1 117.79(3) 5_554 2_655 ?
Mg4 Au3 La1 62.21(3) 17_656 2_655 ?
La1 Au3 La1 180.0 14 2_655 ?
Mg5 Au3 La1 61.02(3) 13_655 15_655 ?
Mg5 Au3 La1 118.98(3) . 15_655 ?
Mg6 Au3 La1 61.97(4) 13_665 15_655 ?
Mg6 Au3 La1 118.03(4) 1_545 15_655 ?
Mg4 Au3 La1 117.79(3) 18_556 15_655 ?
Mg4 Au3 La1 62.21(3) 6_654 15_655 ?
Mg4 Au3 La1 117.21(2) 5_554 15_655 ?
Mg4 Au3 La1 62.79(2) 17_656 15_655 ?
La1 Au3 La1 65.535(10) 14 15_655 ?
La1 Au3 La1 114.465(10) 2_655 15_655 ?
Mg5 Au3 La1 118.98(3) 13_655 3 ?
Mg5 Au3 La1 61.02(3) . 3 ?
Mg6 Au3 La1 118.03(4) 13_665 3 ?
Mg6 Au3 La1 61.97(4) 1_545 3 ?
Mg4 Au3 La1 62.21(3) 18_556 3 ?
Mg4 Au3 La1 117.79(3) 6_654 3 ?
Mg4 Au3 La1 62.79(2) 5_554 3 ?
Mg4 Au3 La1 117.21(2) 17_656 3 ?
La1 Au3 La1 114.465(10) 14 3 ?
La1 Au3 La1 65.535(10) 2_655 3 ?
La1 Au3 La1 180.0 15_655 3 ?
Au2 Mg4 Mg3 114.26(3) 4 5_565 ?
Au2 Mg4 Au3 114.26(3) 4 5_565 ?
Mg3 Mg4 Au3 0.0 5_565 5_565 ?
Au2 Mg4 Mg3 114.26(3) 4 6 ?
Mg3 Mg4 Mg3 107.97(5) 5_565 6 ?
Au3 Mg4 Mg3 107.97(5) 5_565 6 ?
Au2 Mg4 Au3 114.26(3) 4 6 ?
Mg3 Mg4 Au3 108.0 5_565 6 ?
Au3 Mg4 Au3 107.97(5) 5_565 6 ?
Mg3 Mg4 Au3 0.0 6 6 ?
Au2 Mg4 Mg6 145.74(7) 4 16_556 ?
Mg3 Mg4 Mg6 54.81(2) 5_565 16_556 ?
Au3 Mg4 Mg6 54.81(2) 5_565 16_556 ?
Mg3 Mg4 Mg6 54.80(2) 6 16_556 ?
Au3 Mg4 Mg6 54.80(2) 6 16_556 ?
Au2 Mg4 Mg5 143.63(5) 4 15_556 ?
Mg3 Mg4 Mg5 101.88(6) 5_565 15_556 ?
Au3 Mg4 Mg5 101.88(6) 5_565 15_556 ?
Mg3 Mg4 Mg5 54.15(3) 6 15_556 ?
Au3 Mg4 Mg5 54.15(3) 6 15_556 ?
Mg6 Mg4 Mg5 61.52(5) 16_556 15_556 ?
Au2 Mg4 Mg5 143.63(5) 4 14_566 ?
Mg3 Mg4 Mg5 54.15(3) 5_565 14_566 ?
Au3 Mg4 Mg5 54.15(3) 5_565 14_566 ?
Mg3 Mg4 Mg5 101.88(6) 6 14_566 ?
Au3 Mg4 Mg5 101.88(6) 6 14_566 ?
Mg6 Mg4 Mg5 61.52(5) 16_556 14_566 ?
Mg5 Mg4 Mg5 58.58(8) 15_556 14_566 ?
Au2 Mg4 Mg4 55.698(14) 4 15_556 ?
Mg3 Mg4 Mg4 58.56(3) 5_565 15_556 ?
Au3 Mg4 Mg4 58.56(3) 5_565 15_556 ?
Mg3 Mg4 Mg4 131.61(7) 6 15_556 ?
Au3 Mg4 Mg4 131.61(7) 6 15_556 ?
Mg6 Mg4 Mg4 104.55(5) 16_556 15_556 ?
Mg5 Mg4 Mg4 160.06(4) 15_556 15_556 ?
Mg5 Mg4 Mg4 102.88(4) 14_566 15_556 ?
Au2 Mg4 Mg4 55.698(14) 4 14_556 ?
Mg3 Mg4 Mg4 131.61(7) 5_565 14_556 ?
Au3 Mg4 Mg4 131.61(7) 5_565 14_556 ?
Mg3 Mg4 Mg4 58.56(3) 6 14_556 ?
Au3 Mg4 Mg4 58.56(3) 6 14_556 ?
Mg6 Mg4 Mg4 104.55(5) 16_556 14_556 ?
Mg5 Mg4 Mg4 102.88(4) 15_556 14_556 ?
Mg5 Mg4 Mg4 160.06(4) 14_566 14_556 ?
Mg4 Mg4 Mg4 94.26(6) 15_556 14_556 ?
Au2 Mg4 Mg7 50.87(3) 4 13_556 ?
Mg3 Mg4 Mg7 125.84(2) 5_565 13_556 ?
Au3 Mg4 Mg7 125.84(2) 5_565 13_556 ?
Mg3 Mg4 Mg7 125.84(2) 6 13_556 ?
Au3 Mg4 Mg7 125.84(2) 6 13_556 ?
Mg6 Mg4 Mg7 163.39(6) 16_556 13_556 ?
Mg5 Mg4 Mg7 104.37(4) 15_556 13_556 ?
Mg5 Mg4 Mg7 104.37(4) 14_566 13_556 ?
Mg4 Mg4 Mg7 86.56(3) 15_556 13_556 ?
Mg4 Mg4 Mg7 86.56(3) 14_556 13_556 ?
Au2 Mg4 La1 83.71(4) 4 . ?
Mg3 Mg4 La1 68.10(3) 5_565 . ?
Au3 Mg4 La1 68.10(3) 5_565 . ?
Mg3 Mg4 La1 68.10(3) 6 . ?
Au3 Mg4 La1 68.10(3) 6 . ?
Mg6 Mg4 La1 62.03(5) 16_556 . ?
Mg5 Mg4 La1 114.91(4) 15_556 . ?
Mg5 Mg4 La1 114.91(4) 14_566 . ?
Mg4 Mg4 La1 63.86(5) 15_556 . ?
Mg4 Mg4 La1 63.86(5) 14_556 . ?
Mg7 Mg4 La1 134.58(5) 13_556 . ?
Au3 Mg5 Mg3 135.9 . 4_655 ?
Au3 Mg5 Au3 135.92(8) . 4_655 ?
Mg3 Mg5 Au3 0.0 4_655 4_655 ?
Au3 Mg5 Mg5 108.96(3) . 2_655 ?
Mg3 Mg5 Mg5 108.96(3) 4_655 2_655 ?
Au3 Mg5 Mg5 108.96(3) 4_655 2_655 ?
Au3 Mg5 Mg5 108.96(3) . 3_665 ?
Mg3 Mg5 Mg5 108.96(3) 4_655 3_665 ?
Au3 Mg5 Mg5 108.96(3) 4_655 3_665 ?
Mg5 Mg5 Mg5 60.0 2_655 3_665 ?
Au3 Mg5 Mg4 60.88(2) . 5_554 ?
Mg3 Mg5 Mg4 123.65(3) 4_655 5_554 ?
Au3 Mg5 Mg4 123.65(3) 4_655 5_554 ?
Mg5 Mg5 Mg4 109.48(4) 2_655 5_554 ?
Mg5 Mg5 Mg4 60.71(4) 3_665 5_554 ?
Au3 Mg5 Mg4 123.65(3) . 14_556 ?
Mg3 Mg5 Mg4 60.88(2) 4_655 14_556 ?
Au3 Mg5 Mg4 60.88(2) 4_655 14_556 ?
Mg5 Mg5 Mg4 109.48(4) 2_655 14_556 ?
Mg5 Mg5 Mg4 60.71(4) 3_665 14_556 ?
Mg4 Mg5 Mg4 68.30(5) 5_554 14_556 ?
Au3 Mg5 Mg4 123.65(3) . 15_656 ?
Mg3 Mg5 Mg4 60.88(2) 4_655 15_656 ?
Au3 Mg5 Mg4 60.88(2) 4_655 15_656 ?
Mg5 Mg5 Mg4 60.71(4) 2_655 15_656 ?
Mg5 Mg5 Mg4 109.48(4) 3_665 15_656 ?
Mg4 Mg5 Mg4 169.68(8) 5_554 15_656 ?
Mg4 Mg5 Mg4 110.71(5) 14_556 15_656 ?
Au3 Mg5 Mg4 60.88(2) . 6_654 ?
Mg3 Mg5 Mg4 123.65(3) 4_655 6_654 ?
Au3 Mg5 Mg4 123.65(3) 4_655 6_654 ?
Mg5 Mg5 Mg4 60.71(4) 2_655 6_654 ?
Mg5 Mg5 Mg4 109.48(4) 3_665 6_654 ?
Mg4 Mg5 Mg4 110.71(5) 5_554 6_654 ?
Mg4 Mg5 Mg4 169.68(8) 14_556 6_654 ?
Mg4 Mg5 Mg4 68.30(5) 15_656 6_654 ?
Au3 Mg5 Mg6 168.37(8) . 4_665 ?
Mg3 Mg5 Mg6 55.71(3) 4_655 4_665 ?
Au3 Mg5 Mg6 55.71(3) 4_655 4_665 ?
Mg5 Mg5 Mg6 61.31(3) 2_655 4_665 ?
Mg5 Mg5 Mg6 61.31(3) 3_665 4_665 ?
Mg4 Mg5 Mg6 114.67(4) 5_554 4_665 ?
Mg4 Mg5 Mg6 58.87(3) 14_556 4_665 ?
Mg4 Mg5 Mg6 58.87(3) 15_656 4_665 ?
Mg4 Mg5 Mg6 114.67(4) 6_654 4_665 ?
Au3 Mg5 Mg6 55.71(3) . 13_665 ?
Mg3 Mg5 Mg6 168.37(8) 4_655 13_665 ?
Au3 Mg5 Mg6 168.37(8) 4_655 13_665 ?
Mg5 Mg5 Mg6 61.31(3) 2_655 13_665 ?
Mg5 Mg5 Mg6 61.31(3) 3_665 13_665 ?
Mg4 Mg5 Mg6 58.87(3) 5_554 13_665 ?
Mg4 Mg5 Mg6 114.67(4) 14_556 13_665 ?
Mg4 Mg5 Mg6 114.67(4) 15_656 13_665 ?
Mg4 Mg5 Mg6 58.87(3) 6_654 13_665 ?
Mg6 Mg5 Mg6 112.66(8) 4_665 13_665 ?
Mg3 Mg6 Au3 0.0 2 2 ?
Mg3 Mg6 Mg3 119.957(4) 2 1_565 ?
Au3 Mg6 Mg3 119.957(4) 2 1_565 ?
Mg3 Mg6 Au3 120.0 2 1_565 ?
Au3 Mg6 Au3 119.957(4) 2 1_565 ?
Mg3 Mg6 Au3 0.0 1_565 1_565 ?
Mg3 Mg6 Mg3 119.957(4) 2 3_665 ?
Au3 Mg6 Mg3 119.957(4) 2 3_665 ?
Mg3 Mg6 Mg3 119.957(4) 1_565 3_665 ?
Au3 Mg6 Mg3 119.957(4) 1_565 3_665 ?
Mg3 Mg6 Au3 120.0 2 3_665 ?
Au3 Mg6 Au3 119.957(4) 2 3_665 ?
Mg3 Mg6 Au3 120.0 1_565 3_665 ?
Au3 Mg6 Au3 119.957(4) 1_565 3_665 ?
Mg3 Mg6 Au3 0.0 3_665 3_665 ?
Mg3 Mg6 Mg4 61.014(11) 2 18_566 ?
Au3 Mg6 Mg4 61.014(11) 2 18_566 ?
Mg3 Mg6 Mg4 61.015(11) 1_565 18_566 ?
Au3 Mg6 Mg4 61.015(11) 1_565 18_566 ?
Mg3 Mg6 Mg4 162.02(9) 3_665 18_566 ?
Au3 Mg6 Mg4 162.02(9) 3_665 18_566 ?
Mg3 Mg6 Mg4 61.015(11) 2 16_556 ?
Au3 Mg6 Mg4 61.015(11) 2 16_556 ?
Mg3 Mg6 Mg4 162.02(9) 1_565 16_556 ?
Au3 Mg6 Mg4 162.02(9) 1_565 16_556 ?
Mg3 Mg6 Mg4 61.014(11) 3_665 16_556 ?
Au3 Mg6 Mg4 61.014(11) 3_665 16_556 ?
Mg4 Mg6 Mg4 112.01(4) 18_566 16_556 ?
Mg3 Mg6 Mg4 162.02(9) 2 17_666 ?
Au3 Mg6 Mg4 162.02(9) 2 17_666 ?
Mg3 Mg6 Mg4 61.014(11) 1_565 17_666 ?
Au3 Mg6 Mg4 61.014(11) 1_565 17_666 ?
Mg3 Mg6 Mg4 61.015(11) 3_665 17_666 ?
Au3 Mg6 Mg4 61.015(11) 3_665 17_666 ?
Mg4 Mg6 Mg4 112.01(4) 18_566 17_666 ?
Mg4 Mg6 Mg4 112.01(4) 16_556 17_666 ?
Mg3 Mg6 Mg5 55.14(4) 2 14_565 ?
Au3 Mg6 Mg5 55.14(4) 2 14_565 ?
Mg3 Mg6 Mg5 105.06(6) 1_565 14_565 ?
Au3 Mg6 Mg5 105.06(6) 1_565 14_565 ?
Mg3 Mg6 Mg5 105.06(6) 3_665 14_565 ?
Au3 Mg6 Mg5 105.06(6) 3_665 14_565 ?
Mg4 Mg6 Mg5 59.61(4) 18_566 14_565 ?
Mg4 Mg6 Mg5 59.61(4) 16_556 14_565 ?
Mg4 Mg6 Mg5 106.88(8) 17_666 14_565 ?
Mg3 Mg6 Mg5 105.06(6) 2 13_665 ?
Au3 Mg6 Mg5 105.06(6) 2 13_665 ?
Mg3 Mg6 Mg5 55.14(4) 1_565 13_665 ?
Au3 Mg6 Mg5 55.14(4) 1_565 13_665 ?
Mg3 Mg6 Mg5 105.06(6) 3_665 13_665 ?
Au3 Mg6 Mg5 105.06(6) 3_665 13_665 ?
Mg4 Mg6 Mg5 59.61(4) 18_566 13_665 ?
Mg4 Mg6 Mg5 106.88(8) 16_556 13_665 ?
Mg4 Mg6 Mg5 59.61(4) 17_666 13_665 ?
Mg5 Mg6 Mg5 57.39(7) 14_565 13_665 ?
Mg3 Mg6 Mg5 105.06(6) 2 15 ?
Au3 Mg6 Mg5 105.06(6) 2 15 ?
Mg3 Mg6 Mg5 105.06(6) 1_565 15 ?
Au3 Mg6 Mg5 105.06(6) 1_565 15 ?
Mg3 Mg6 Mg5 55.14(4) 3_665 15 ?
Au3 Mg6 Mg5 55.14(4) 3_665 15 ?
Mg4 Mg6 Mg5 106.88(8) 18_566 15 ?
Mg4 Mg6 Mg5 59.61(4) 16_556 15 ?
Mg4 Mg6 Mg5 59.61(4) 17_666 15 ?
Mg5 Mg6 Mg5 57.39(7) 14_565 15 ?
Mg5 Mg6 Mg5 57.39(7) 13_665 15 ?
Au2 Mg7 Au2 180.0 4 . ?
Au2 Mg7 Mg4 123.40(3) 4 4_554 ?
Au2 Mg7 Mg4 56.60(3) . 4_554 ?
Au2 Mg7 Mg4 56.60(3) 4 14_556 ?
Au2 Mg7 Mg4 123.40(3) . 14_556 ?
Mg4 Mg7 Mg4 130.657(16) 4_554 14_556 ?
Au2 Mg7 Mg4 123.40(3) 4 6_554 ?
Au2 Mg7 Mg4 56.60(3) . 6_554 ?
Mg4 Mg7 Mg4 92.60(4) 4_554 6_554 ?
Mg4 Mg7 Mg4 130.657(16) 14_556 6_554 ?
Au2 Mg7 Mg4 123.40(3) 4 5_554 ?
Au2 Mg7 Mg4 56.60(3) . 5_554 ?
Mg4 Mg7 Mg4 92.60(4) 4_554 5_554 ?
Mg4 Mg7 Mg4 66.81(5) 14_556 5_554 ?
Mg4 Mg7 Mg4 92.60(4) 6_554 5_554 ?
Au2 Mg7 Mg4 56.60(3) 4 13_556 ?
Au2 Mg7 Mg4 123.40(3) . 13_556 ?
Mg4 Mg7 Mg4 66.81(5) 4_554 13_556 ?
Mg4 Mg7 Mg4 92.60(4) 14_556 13_556 ?
Mg4 Mg7 Mg4 130.657(16) 6_554 13_556 ?
Mg4 Mg7 Mg4 130.657(16) 5_554 13_556 ?
Au2 Mg7 Mg4 56.60(3) 4 15_556 ?
Au2 Mg7 Mg4 123.40(3) . 15_556 ?
Mg4 Mg7 Mg4 130.657(16) 4_554 15_556 ?
Mg4 Mg7 Mg4 92.60(4) 14_556 15_556 ?
Mg4 Mg7 Mg4 66.81(5) 6_554 15_556 ?
Mg4 Mg7 Mg4 130.657(16) 5_554 15_556 ?
Mg4 Mg7 Mg4 92.60(4) 13_556 15_556 ?
Au2 Mg7 La1 90.0 4 . ?
Au2 Mg7 La1 90.0 . . ?
Mg4 Mg7 La1 146.60(3) 4_554 . ?
Mg4 Mg7 La1 65.329(8) 14_556 . ?
Mg4 Mg7 La1 65.329(8) 6_554 . ?
Mg4 Mg7 La1 65.329(8) 5_554 . ?
Mg4 Mg7 La1 146.60(3) 13_556 . ?
Mg4 Mg7 La1 65.329(8) 15_556 . ?
Au2 Mg7 La1 90.0 4 2 ?
Au2 Mg7 La1 90.0 . 2 ?
Mg4 Mg7 La1 65.329(8) 4_554 2 ?
Mg4 Mg7 La1 146.60(3) 14_556 2 ?
Mg4 Mg7 La1 65.329(8) 6_554 2 ?
Mg4 Mg7 La1 146.60(3) 5_554 2 ?
Mg4 Mg7 La1 65.329(8) 13_556 2 ?
Mg4 Mg7 La1 65.329(8) 15_556 2 ?
La1 Mg7 La1 120.0 . 2 ?
Au2 Mg7 La1 90.0 4 3 ?
Au2 Mg7 La1 90.0 . 3 ?
Mg4 Mg7 La1 65.329(8) 4_554 3 ?
Mg4 Mg7 La1 65.329(8) 14_556 3 ?
Mg4 Mg7 La1 146.60(3) 6_554 3 ?
Mg4 Mg7 La1 65.329(8) 5_554 3 ?
Mg4 Mg7 La1 65.329(8) 13_556 3 ?
Mg4 Mg7 La1 146.60(3) 15_556 3 ?
La1 Mg7 La1 120.0 . 3 ?
La1 Mg7 La1 120.0 2 3 ?

_refine_diff_density_max         1.006
_refine_diff_density_min         -0.913
_refine_diff_density_rms         0.160

