# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_yptal1_3
_database_code_depnum_ccdc_archive 'CCDC 2238444'
loop_
_audit_author_name
_audit_author_address
'Oksana Sologub'
;TU Wien
Austria
;
_audit_update_record             
;
2023-01-27 deposited with the CCDC.	2023-04-06 downloaded from the CCDC.
;

_audit_creation_date             2023-01-27T15:26:09-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.2
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_sum            'Al4 Pt13 Y6'
_chemical_formula_weight         3177.55

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'I m -3 m'
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_Int_Tables_number      229

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

_cell_length_a                   9.4422(2)
_cell_length_b                   9.4422(2)
_cell_length_c                   9.4422(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     841.82(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_wavelength     0.71073
_cell_measurement_reflns_used    9166
_cell_measurement_theta_min      3.05
_cell_measurement_theta_max      35.15

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       cube
_exptl_crystal_colour            silver
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    12.536
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2600
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    128.083
_exptl_absorpt_correction_type   none

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX II CCD area-detector'
_diffrn_reflns_av_R_equivalents  0.0599
_diffrn_reflns_av_unetI/netI     0.0141
_diffrn_reflns_number            9166
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.05
_diffrn_reflns_theta_max         35.15
_diffrn_reflns_theta_full        35.15
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_reflns_number_total             220
_reflns_number_gt                211
_reflns_threshold_expression     >2sigma(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0055P)²+5.1668P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   none
_refine_ls_hydrogen_treatment    none
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_coef       0.000110(10)
_refine_ls_number_reflns         220
_refine_ls_number_parameters     12
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0115
_refine_ls_R_factor_gt           0.0107
_refine_ls_wR_factor_ref         0.0228
_refine_ls_wR_factor_gt          0.0227
_refine_ls_goodness_of_fit_ref   1.162
_refine_ls_restrained_S_all      1.162
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.449
_refine_diff_density_min         -1.948
_refine_diff_density_rms         0.249

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.30037(8) 0 0 0.00521(12) Uani 1 8 d S . .
Pt1 Pt 0 0.322648(16) 0.322648(16) 0.00431(6) Uani 1 4 d S . .
Pt2 Pt 0 0 0 0.00715(13) Uani 1 48 d S . .
Al1 Al 0.25 0.25 0.25 0.0058(5) Uani 1 12 d S . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
Y1 Pt2 2.8362(8) . ?
Y1 Pt1 3.0268(5) 73 ?
Y1 Pt1 3.0268(5) 75_545 ?
Y1 Pt1 3.0268(5) 27_554 ?
Y1 Pt1 3.0268(5) 25_544 ?
Y1 Pt1 3.05376(17) 11 ?
Y1 Pt1 3.05376(17) 53 ?
Y1 Pt1 3.05376(17) 7 ?
Y1 Pt1 3.05376(18) 9 ?
Y1 Al1 3.37203(13) 2 ?
Y1 Al1 3.37203(13) . ?
Y1 Al1 3.37203(13) 28_545 ?
Pt1 Al1 2.55210(10) 26_455 ?
Pt1 Al1 2.55210(10) . ?
Pt1 Pt1 2.7369(2) 81 ?
Pt1 Pt1 2.7369(2) 79 ?
Pt1 Pt1 2.7369(2) 35_455 ?
Pt1 Pt1 2.7369(2) 77_455 ?
Pt1 Y1 3.0268(5) 73 ?
Pt1 Y1 3.0268(5) 25_455 ?
Pt1 Y1 3.05376(17) 5 ?
Pt1 Y1 3.05376(17) 9 ?
Pt2 Y1 2.8362(8) 57 ?
Pt2 Y1 2.8362(8) 53 ?
Pt2 Y1 2.8362(8) 49 ?
Pt2 Y1 2.8362(8) 5 ?
Pt2 Y1 2.8362(8) 9 ?
Al1 Pt1 2.55210(10) 81 ?
Al1 Pt1 2.55210(10) 9 ?
Al1 Pt1 2.55210(10) 79 ?
Al1 Pt1 2.55210(10) 7 ?
Al1 Pt1 2.55210(10) 73 ?
Al1 Y1 3.37203(13) 81 ?
Al1 Y1 3.37203(13) 9 ?
Al1 Y1 3.37203(13) 77 ?
Al1 Y1 3.37203(13) 5 ?
Al1 Y1 3.37203(13) 73 ?

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
Pt2 Y1 Pt1 128.517(11) . 73 ?
Pt2 Y1 Pt1 128.517(11) . 75_545 ?
Pt1 Y1 Pt1 67.181(12) 73 75_545 ?
Pt2 Y1 Pt1 128.517(11) . 27_554 ?
Pt1 Y1 Pt1 67.181(12) 73 27_554 ?
Pt1 Y1 Pt1 102.97(2) 75_545 27_554 ?
Pt2 Y1 Pt1 128.517(11) . 25_544 ?
Pt1 Y1 Pt1 102.97(2) 73 25_544 ?
Pt1 Y1 Pt1 67.181(12) 75_545 25_544 ?
Pt1 Y1 Pt1 67.181(12) 27_554 25_544 ?
Pt2 Y1 Pt1 93.949(14) . 11 ?
Pt1 Y1 Pt1 120.601(17) 73 11 ?
Pt1 Y1 Pt1 53.499(5) 75_545 11 ?
Pt1 Y1 Pt1 120.601(17) 27_554 11 ?
Pt1 Y1 Pt1 53.499(5) 25_544 11 ?
Pt2 Y1 Pt1 93.949(14) . 53 ?
Pt1 Y1 Pt1 120.601(17) 73 53 ?
Pt1 Y1 Pt1 120.601(17) 75_545 53 ?
Pt1 Y1 Pt1 53.499(5) 27_554 53 ?
Pt1 Y1 Pt1 53.499(5) 25_544 53 ?
Pt1 Y1 Pt1 89.728(2) 11 53 ?
Pt2 Y1 Pt1 93.949(14) . 7 ?
Pt1 Y1 Pt1 53.499(5) 73 7 ?
Pt1 Y1 Pt1 53.499(5) 75_545 7 ?
Pt1 Y1 Pt1 120.601(17) 27_554 7 ?
Pt1 Y1 Pt1 120.601(17) 25_544 7 ?
Pt1 Y1 Pt1 89.728(2) 11 7 ?
Pt1 Y1 Pt1 172.10(3) 53 7 ?
Pt2 Y1 Pt1 93.949(14) . 9 ?
Pt1 Y1 Pt1 53.499(5) 73 9 ?
Pt1 Y1 Pt1 120.601(17) 75_545 9 ?
Pt1 Y1 Pt1 53.499(5) 27_554 9 ?
Pt1 Y1 Pt1 120.601(17) 25_544 9 ?
Pt1 Y1 Pt1 172.10(3) 11 9 ?
Pt1 Y1 Pt1 89.728(2) 53 9 ?
Pt1 Y1 Pt1 89.728(2) 7 9 ?
Pt2 Y1 Al1 81.891(13) . 2 ?
Pt1 Y1 Al1 149.59(2) 73 2 ?
Pt1 Y1 Al1 95.039(7) 75_545 2 ?
Pt1 Y1 Al1 95.039(7) 27_554 2 ?
Pt1 Y1 Al1 46.626(3) 25_544 2 ?
Pt1 Y1 Al1 46.4760(10) 11 2 ?
Pt1 Y1 Al1 46.4760(10) 53 2 ?
Pt1 Y1 Al1 135.080(2) 7 2 ?
Pt1 Y1 Al1 135.080(2) 9 2 ?
Pt2 Y1 Al1 81.891(13) . . ?
Pt1 Y1 Al1 46.626(3) 73 . ?
Pt1 Y1 Al1 95.039(7) 75_545 . ?
Pt1 Y1 Al1 95.039(7) 27_554 . ?
Pt1 Y1 Al1 149.59(2) 25_544 . ?
Pt1 Y1 Al1 135.080(2) 11 . ?
Pt1 Y1 Al1 135.080(2) 53 . ?
Pt1 Y1 Al1 46.4760(10) 7 . ?
Pt1 Y1 Al1 46.4760(10) 9 . ?
Al1 Y1 Al1 163.78(3) 2 . ?
Pt2 Y1 Al1 81.891(13) . 28_545 ?
Pt1 Y1 Al1 95.039(7) 73 28_545 ?
Pt1 Y1 Al1 46.626(3) 75_545 28_545 ?
Pt1 Y1 Al1 149.59(2) 27_554 28_545 ?
Pt1 Y1 Al1 95.039(7) 25_544 28_545 ?
Pt1 Y1 Al1 46.4760(10) 11 28_545 ?
Pt1 Y1 Al1 135.080(2) 53 28_545 ?
Pt1 Y1 Al1 46.4760(10) 7 28_545 ?
Pt1 Y1 Al1 135.080(2) 9 28_545 ?
Al1 Y1 Al1 88.860(4) 2 28_545 ?
Al1 Y1 Al1 88.860(4) . 28_545 ?
Al1 Pt1 Al1 135.319(9) 26_455 . ?
Al1 Pt1 Pt1 126.559(7) 26_455 81 ?
Al1 Pt1 Pt1 57.574(2) . 81 ?
Al1 Pt1 Pt1 126.559(7) 26_455 79 ?
Al1 Pt1 Pt1 57.574(2) . 79 ?
Pt1 Pt1 Pt1 103.830(9) 81 79 ?
Al1 Pt1 Pt1 57.574(2) 26_455 35_455 ?
Al1 Pt1 Pt1 126.559(7) . 35_455 ?
Pt1 Pt1 Pt1 75.448(7) 81 35_455 ?
Pt1 Pt1 Pt1 171.030(13) 79 35_455 ?
Al1 Pt1 Pt1 57.574(2) 26_455 77_455 ?
Al1 Pt1 Pt1 126.559(7) . 77_455 ?
Pt1 Pt1 Pt1 171.030(13) 81 77_455 ?
Pt1 Pt1 Pt1 75.448(7) 79 77_455 ?
Pt1 Pt1 Pt1 103.830(9) 35_455 77_455 ?
Al1 Pt1 Y1 150.858(12) 26_455 73 ?
Al1 Pt1 Y1 73.824(12) . 73 ?
Pt1 Pt1 Y1 63.755(9) 81 73 ?
Pt1 Pt1 Y1 63.755(9) 79 73 ?
Pt1 Pt1 Y1 108.654(8) 35_455 73 ?
Pt1 Pt1 Y1 108.654(8) 77_455 73 ?
Al1 Pt1 Y1 73.824(12) 26_455 25_455 ?
Al1 Pt1 Y1 150.858(13) . 25_455 ?
Pt1 Pt1 Y1 108.654(8) 81 25_455 ?
Pt1 Pt1 Y1 108.654(8) 79 25_455 ?
Pt1 Pt1 Y1 63.755(9) 35_455 25_455 ?
Pt1 Pt1 Y1 63.755(9) 77_455 25_455 ?
Y1 Pt1 Y1 77.03(2) 73 25_455 ?
Al1 Pt1 Y1 73.342(5) 26_455 5 ?
Al1 Pt1 Y1 73.342(5) . 5 ?
Pt1 Pt1 Y1 125.161(10) 81 5 ?
Pt1 Pt1 Y1 62.746(12) 79 5 ?
Pt1 Pt1 Y1 125.161(10) 35_455 5 ?
Pt1 Pt1 Y1 62.746(12) 77_455 5 ?
Y1 Pt1 Y1 126.161(2) 73 5 ?
Y1 Pt1 Y1 126.160(2) 25_455 5 ?
Al1 Pt1 Y1 73.342(5) 26_455 9 ?
Al1 Pt1 Y1 73.342(5) . 9 ?
Pt1 Pt1 Y1 62.746(12) 81 9 ?
Pt1 Pt1 Y1 125.161(10) 79 9 ?
Pt1 Pt1 Y1 62.746(12) 35_455 9 ?
Pt1 Pt1 Y1 125.161(10) 77_455 9 ?
Y1 Pt1 Y1 126.161(3) 73 9 ?
Y1 Pt1 Y1 126.160(2) 25_455 9 ?
Y1 Pt1 Y1 82.10(3) 5 9 ?
Y1 Pt2 Y1 90 57 53 ?
Y1 Pt2 Y1 90 57 49 ?
Y1 Pt2 Y1 90 53 49 ?
Y1 Pt2 Y1 90 57 . ?
Y1 Pt2 Y1 90 53 . ?
Y1 Pt2 Y1 180 49 . ?
Y1 Pt2 Y1 90 57 5 ?
Y1 Pt2 Y1 180 53 5 ?
Y1 Pt2 Y1 90 49 5 ?
Y1 Pt2 Y1 90 . 5 ?
Y1 Pt2 Y1 180 57 9 ?
Y1 Pt2 Y1 90 53 9 ?
Y1 Pt2 Y1 90 49 9 ?
Y1 Pt2 Y1 90 . 9 ?
Y1 Pt2 Y1 90 5 9 ?
Pt1 Al1 Pt1 64.851(3) . 81 ?
Pt1 Al1 Pt1 115.149(3) . 9 ?
Pt1 Al1 Pt1 180 81 9 ?
Pt1 Al1 Pt1 64.851(3) . 79 ?
Pt1 Al1 Pt1 115.149(3) 81 79 ?
Pt1 Al1 Pt1 64.851(3) 9 79 ?
Pt1 Al1 Pt1 115.149(3) . 7 ?
Pt1 Al1 Pt1 64.851(3) 81 7 ?
Pt1 Al1 Pt1 115.149(3) 9 7 ?
Pt1 Al1 Pt1 180 79 7 ?
Pt1 Al1 Pt1 180 . 73 ?
Pt1 Al1 Pt1 115.149(3) 81 73 ?
Pt1 Al1 Pt1 64.851(3) 9 73 ?
Pt1 Al1 Pt1 115.149(3) 79 73 ?
Pt1 Al1 Pt1 64.851(3) 7 73 ?
Pt1 Al1 Y1 120.449(14) . . ?
Pt1 Al1 Y1 119.818(4) 81 . ?
Pt1 Al1 Y1 60.182(4) 9 . ?
Pt1 Al1 Y1 119.818(4) 79 . ?
Pt1 Al1 Y1 60.182(4) 7 . ?
Pt1 Al1 Y1 59.551(14) 73 . ?
Pt1 Al1 Y1 119.818(4) . 81 ?
Pt1 Al1 Y1 120.449(14) 81 81 ?
Pt1 Al1 Y1 59.551(14) 9 81 ?
Pt1 Al1 Y1 60.182(4) 79 81 ?
Pt1 Al1 Y1 119.818(4) 7 81 ?
Pt1 Al1 Y1 60.182(4) 73 81 ?
Y1 Al1 Y1 107.01(2) . 81 ?
Pt1 Al1 Y1 60.182(4) . 9 ?
Pt1 Al1 Y1 59.551(14) 81 9 ?
Pt1 Al1 Y1 120.449(14) 9 9 ?
Pt1 Al1 Y1 119.818(4) 79 9 ?
Pt1 Al1 Y1 60.182(4) 7 9 ?
Pt1 Al1 Y1 119.818(4) 73 9 ?
Y1 Al1 Y1 72.99(2) . 9 ?
Y1 Al1 Y1 180 81 9 ?
Pt1 Al1 Y1 119.818(4) . 77 ?
Pt1 Al1 Y1 60.182(4) 81 77 ?
Pt1 Al1 Y1 119.818(4) 9 77 ?
Pt1 Al1 Y1 120.449(14) 79 77 ?
Pt1 Al1 Y1 59.551(14) 7 77 ?
Pt1 Al1 Y1 60.182(4) 73 77 ?
Y1 Al1 Y1 107.01(2) . 77 ?
Y1 Al1 Y1 72.99(2) 81 77 ?
Y1 Al1 Y1 107.01(2) 9 77 ?
Pt1 Al1 Y1 60.182(4) . 5 ?
Pt1 Al1 Y1 119.818(4) 81 5 ?
Pt1 Al1 Y1 60.182(4) 9 5 ?
Pt1 Al1 Y1 59.551(14) 79 5 ?
Pt1 Al1 Y1 120.449(14) 7 5 ?
Pt1 Al1 Y1 119.818(4) 73 5 ?
Y1 Al1 Y1 72.99(2) . 5 ?
Y1 Al1 Y1 107.01(2) 81 5 ?
Y1 Al1 Y1 72.99(2) 9 5 ?
Y1 Al1 Y1 180 77 5 ?
Pt1 Al1 Y1 59.551(14) . 73 ?
Pt1 Al1 Y1 60.182(4) 81 73 ?
Pt1 Al1 Y1 119.818(4) 9 73 ?
Pt1 Al1 Y1 60.182(4) 79 73 ?
Pt1 Al1 Y1 119.818(4) 7 73 ?
Pt1 Al1 Y1 120.449(14) 73 73 ?
Y1 Al1 Y1 180.00(3) . 73 ?
Y1 Al1 Y1 72.99(2) 81 73 ?
Y1 Al1 Y1 107.01(2) 9 73 ?
Y1 Al1 Y1 72.99(2) 77 73 ?
Y1 Al1 Y1 107.01(2) 5 73 ?

####################################################################### 
# 
# 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_yptga1_5
_database_code_depnum_ccdc_archive 'CCDC 2238751'
loop_
_audit_author_name
_audit_author_address
'Oksana Sologub'
;TU Wien
Austria
;
_audit_update_record             
;
2023-01-30 deposited with the CCDC.	2023-04-06 downloaded from the CCDC.
;

_audit_creation_date             2023-01-28T14:56:34-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.2
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        Y6Pt13Ga4
_chemical_formula_sum            'Ga4 Pt13 Y6'
_chemical_formula_weight         3348.51

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'I m -3 m'
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_Int_Tables_number      229

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

_cell_length_a                   9.4465(10)
_cell_length_b                   9.4465(10)
_cell_length_c                   9.4465(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     843.0(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_wavelength     0.71073
_cell_measurement_reflns_used    6167
_cell_measurement_theta_min      3.05
_cell_measurement_theta_max      35.13

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       cube
_exptl_crystal_colour            silver
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_crystal_density_diffrn    13.192
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2744
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    133.955
_exptl_absorpt_correction_type   none

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX II CCD area-detector'
_diffrn_reflns_av_R_equivalents  0.099
_diffrn_reflns_av_unetI/netI     0.0272
_diffrn_reflns_number            6167
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.05
_diffrn_reflns_theta_max         35.13
_diffrn_reflns_theta_full        35.13
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_reflns_number_total             220
_reflns_number_gt                192
_reflns_threshold_expression     >2sigma(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0113P)²+2.4634P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   none
_refine_ls_hydrogen_treatment    none
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_coef       0.000042(12)
_refine_ls_number_reflns         220
_refine_ls_number_parameters     13
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0281
_refine_ls_R_factor_gt           0.0191
_refine_ls_wR_factor_ref         0.0353
_refine_ls_wR_factor_gt          0.0339
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_diff_density_max         2.351
_refine_diff_density_min         -2.742
_refine_diff_density_rms         0.446

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt2 Pt 0 0 0 0.0074(2) Uani 1 48 d S . .
Pt1 Pt 0 0.32427(3) 0.32427(3) 0.00560(10) Uani 1 4 d S . .
Y1 Y 0.30045(14) 0 0 0.0060(2) Uani 1 8 d S . .
Ga1 Ga 0.25 0.25 0.25 0.0076(3) Uani 1 12 d S . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
Pt2 Y1 2.8382(13) . ?
Pt2 Y1 2.8382(13) 57 ?
Pt2 Y1 2.8382(13) 49 ?
Pt2 Y1 2.8382(13) 5 ?
Pt2 Y1 2.8382(13) 53 ?
Pt2 Y1 2.8382(13) 9 ?
Pt1 Ga1 2.5616(3) 26_455 ?
Pt1 Ga1 2.5616(3) . ?
Pt1 Pt1 2.7350(3) 81 ?
Pt1 Pt1 2.7350(3) 79 ?
Pt1 Pt1 2.7350(3) 77_455 ?
Pt1 Pt1 2.7350(3) 35_455 ?
Pt1 Y1 3.0108(9) 73 ?
Pt1 Y1 3.0108(9) 25_455 ?
Pt1 Y1 3.0715(4) 5 ?
Pt1 Y1 3.0715(4) 9 ?
Y1 Pt1 3.0108(9) 73 ?
Y1 Pt1 3.0108(9) 75_545 ?
Y1 Pt1 3.0108(9) 27_554 ?
Y1 Pt1 3.0108(9) 25_544 ?
Y1 Pt1 3.0715(4) 9 ?
Y1 Pt1 3.0715(4) 7 ?
Y1 Pt1 3.0715(4) 11 ?
Y1 Pt1 3.0715(4) 53 ?
Y1 Ga1 3.3737(4) 2 ?
Y1 Ga1 3.3737(4) . ?
Y1 Ga1 3.3737(4) 28_545 ?
Ga1 Pt1 2.5616(3) 81 ?
Ga1 Pt1 2.5616(3) 9 ?
Ga1 Pt1 2.5616(3) 73 ?
Ga1 Pt1 2.5616(3) 7 ?
Ga1 Pt1 2.5616(3) 79 ?
Ga1 Y1 3.3737(4) 81 ?
Ga1 Y1 3.3737(4) 73 ?
Ga1 Y1 3.3737(4) 5 ?
Ga1 Y1 3.3737(4) 77 ?
Ga1 Y1 3.3737(4) 9 ?

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
Y1 Pt2 Y1 90 . 57 ?
Y1 Pt2 Y1 180 . 49 ?
Y1 Pt2 Y1 90 57 49 ?
Y1 Pt2 Y1 90 . 5 ?
Y1 Pt2 Y1 90 57 5 ?
Y1 Pt2 Y1 90 49 5 ?
Y1 Pt2 Y1 90 . 53 ?
Y1 Pt2 Y1 90 57 53 ?
Y1 Pt2 Y1 90 49 53 ?
Y1 Pt2 Y1 180 5 53 ?
Y1 Pt2 Y1 90 . 9 ?
Y1 Pt2 Y1 180 57 9 ?
Y1 Pt2 Y1 90 49 9 ?
Y1 Pt2 Y1 90 5 9 ?
Y1 Pt2 Y1 90 53 9 ?
Ga1 Pt1 Ga1 134.421(15) 26_455 . ?
Ga1 Pt1 Pt1 125.823(12) 26_455 81 ?
Ga1 Pt1 Pt1 57.734(3) . 81 ?
Ga1 Pt1 Pt1 125.823(12) 26_455 79 ?
Ga1 Pt1 Pt1 57.734(3) . 79 ?
Pt1 Pt1 Pt1 104.739(15) 81 79 ?
Ga1 Pt1 Pt1 57.734(3) 26_455 77_455 ?
Ga1 Pt1 Pt1 125.823(12) . 77_455 ?
Pt1 Pt1 Pt1 172.39(2) 81 77_455 ?
Pt1 Pt1 Pt1 74.738(12) 79 77_455 ?
Ga1 Pt1 Pt1 57.734(3) 26_455 35_455 ?
Ga1 Pt1 Pt1 125.823(12) . 35_455 ?
Pt1 Pt1 Pt1 74.738(12) 81 35_455 ?
Pt1 Pt1 Pt1 172.39(2) 79 35_455 ?
Pt1 Pt1 Pt1 104.739(15) 77_455 35_455 ?
Ga1 Pt1 Y1 151.55(2) 26_455 73 ?
Ga1 Pt1 Y1 74.03(2) . 73 ?
Pt1 Pt1 Y1 64.419(15) 81 73 ?
Pt1 Pt1 Y1 64.419(15) 79 73 ?
Pt1 Pt1 Y1 109.162(12) 77_455 73 ?
Pt1 Pt1 Y1 109.162(12) 35_455 73 ?
Ga1 Pt1 Y1 74.03(2) 26_455 25_455 ?
Ga1 Pt1 Y1 151.55(2) . 25_455 ?
Pt1 Pt1 Y1 109.162(12) 81 25_455 ?
Pt1 Pt1 Y1 109.162(12) 79 25_455 ?
Pt1 Pt1 Y1 64.419(15) 77_455 25_455 ?
Pt1 Pt1 Y1 64.419(15) 35_455 25_455 ?
Y1 Pt1 Y1 77.53(4) 73 25_455 ?
Ga1 Pt1 Y1 72.949(8) 26_455 5 ?
Ga1 Pt1 Y1 72.949(8) . 5 ?
Pt1 Pt1 Y1 124.592(18) 81 5 ?
Pt1 Pt1 Y1 62.15(2) 79 5 ?
Pt1 Pt1 Y1 62.15(2) 77_455 5 ?
Pt1 Pt1 Y1 124.592(18) 35_455 5 ?
Y1 Pt1 Y1 126.176(4) 73 5 ?
Y1 Pt1 Y1 126.176(4) 25_455 5 ?
Ga1 Pt1 Y1 72.949(9) 26_455 9 ?
Ga1 Pt1 Y1 72.949(8) . 9 ?
Pt1 Pt1 Y1 62.15(2) 81 9 ?
Pt1 Pt1 Y1 124.592(18) 79 9 ?
Pt1 Pt1 Y1 124.592(18) 77_455 9 ?
Pt1 Pt1 Y1 62.15(2) 35_455 9 ?
Y1 Pt1 Y1 126.176(4) 73 9 ?
Y1 Pt1 Y1 126.176(4) 25_455 9 ?
Y1 Pt1 Y1 81.60(5) 5 9 ?
Pt2 Y1 Pt1 128.763(19) . 73 ?
Pt2 Y1 Pt1 128.763(19) . 75_545 ?
Pt1 Y1 Pt1 66.92(2) 73 75_545 ?
Pt2 Y1 Pt1 128.763(19) . 27_554 ?
Pt1 Y1 Pt1 66.92(2) 73 27_554 ?
Pt1 Y1 Pt1 102.47(4) 75_545 27_554 ?
Pt2 Y1 Pt1 128.763(19) . 25_544 ?
Pt1 Y1 Pt1 102.47(4) 73 25_544 ?
Pt1 Y1 Pt1 66.92(2) 75_545 25_544 ?
Pt1 Y1 Pt1 66.92(2) 27_554 25_544 ?
Pt2 Y1 Pt1 94.20(2) . 9 ?
Pt1 Y1 Pt1 53.434(8) 73 9 ?
Pt1 Y1 Pt1 120.27(3) 75_545 9 ?
Pt1 Y1 Pt1 53.434(8) 27_554 9 ?
Pt1 Y1 Pt1 120.27(3) 25_544 9 ?
Pt2 Y1 Pt1 94.20(2) . 7 ?
Pt1 Y1 Pt1 53.434(8) 73 7 ?
Pt1 Y1 Pt1 53.434(8) 75_545 7 ?
Pt1 Y1 Pt1 120.27(3) 27_554 7 ?
Pt1 Y1 Pt1 120.27(3) 25_544 7 ?
Pt1 Y1 Pt1 89.692(3) 9 7 ?
Pt2 Y1 Pt1 94.20(2) . 11 ?
Pt1 Y1 Pt1 120.27(3) 73 11 ?
Pt1 Y1 Pt1 53.434(8) 75_545 11 ?
Pt1 Y1 Pt1 120.27(3) 27_554 11 ?
Pt1 Y1 Pt1 53.434(8) 25_544 11 ?
Pt1 Y1 Pt1 171.60(5) 9 11 ?
Pt1 Y1 Pt1 89.692(3) 7 11 ?
Pt2 Y1 Pt1 94.20(2) . 53 ?
Pt1 Y1 Pt1 120.27(3) 73 53 ?
Pt1 Y1 Pt1 120.27(3) 75_545 53 ?
Pt1 Y1 Pt1 53.434(8) 27_554 53 ?
Pt1 Y1 Pt1 53.434(8) 25_544 53 ?
Pt1 Y1 Pt1 89.692(3) 9 53 ?
Pt1 Y1 Pt1 171.60(5) 7 53 ?
Pt1 Y1 Pt1 89.692(3) 11 53 ?
Pt2 Y1 Ga1 81.88(2) . 2 ?
Pt1 Y1 Ga1 149.36(4) 73 2 ?
Pt1 Y1 Ga1 95.074(11) 75_545 2 ?
Pt1 Y1 Ga1 95.074(11) 27_554 2 ?
Pt1 Y1 Ga1 46.884(5) 25_544 2 ?
Pt1 Y1 Ga1 135.112(4) 9 2 ?
Pt1 Y1 Ga1 135.112(4) 7 2 ?
Pt1 Y1 Ga1 46.545(2) 11 2 ?
Pt1 Y1 Ga1 46.545(2) 53 2 ?
Pt2 Y1 Ga1 81.88(2) . . ?
Pt1 Y1 Ga1 46.884(5) 73 . ?
Pt1 Y1 Ga1 95.074(11) 75_545 . ?
Pt1 Y1 Ga1 95.074(11) 27_554 . ?
Pt1 Y1 Ga1 149.36(4) 25_544 . ?
Pt1 Y1 Ga1 46.545(2) 9 . ?
Pt1 Y1 Ga1 46.545(2) 7 . ?
Pt1 Y1 Ga1 135.112(4) 11 . ?
Pt1 Y1 Ga1 135.112(4) 53 . ?
Ga1 Y1 Ga1 163.76(4) 2 . ?
Pt2 Y1 Ga1 81.88(2) . 28_545 ?
Pt1 Y1 Ga1 95.074(11) 73 28_545 ?
Pt1 Y1 Ga1 46.884(5) 75_545 28_545 ?
Pt1 Y1 Ga1 149.36(4) 27_554 28_545 ?
Pt1 Y1 Ga1 95.074(11) 25_544 28_545 ?
Pt1 Y1 Ga1 135.112(4) 9 28_545 ?
Pt1 Y1 Ga1 46.545(2) 7 28_545 ?
Pt1 Y1 Ga1 46.545(2) 11 28_545 ?
Pt1 Y1 Ga1 135.112(4) 53 28_545 ?
Ga1 Y1 Ga1 88.857(6) 2 28_545 ?
Ga1 Y1 Ga1 88.857(6) . 28_545 ?
Pt1 Ga1 Pt1 64.532(5) . 81 ?
Pt1 Ga1 Pt1 115.468(5) . 9 ?
Pt1 Ga1 Pt1 180 81 9 ?
Pt1 Ga1 Pt1 180 . 73 ?
Pt1 Ga1 Pt1 115.468(5) 81 73 ?
Pt1 Ga1 Pt1 64.532(5) 9 73 ?
Pt1 Ga1 Pt1 115.468(5) . 7 ?
Pt1 Ga1 Pt1 64.532(5) 81 7 ?
Pt1 Ga1 Pt1 115.468(5) 9 7 ?
Pt1 Ga1 Pt1 64.532(5) 73 7 ?
Pt1 Ga1 Pt1 64.532(5) . 79 ?
Pt1 Ga1 Pt1 115.468(5) 81 79 ?
Pt1 Ga1 Pt1 64.532(5) 9 79 ?
Pt1 Ga1 Pt1 115.468(5) 73 79 ?
Pt1 Ga1 Pt1 180 7 79 ?
Pt1 Ga1 Y1 120.91(2) . . ?
Pt1 Ga1 Y1 119.494(7) 81 . ?
Pt1 Ga1 Y1 60.506(7) 9 . ?
Pt1 Ga1 Y1 59.09(2) 73 . ?
Pt1 Ga1 Y1 60.506(7) 7 . ?
Pt1 Ga1 Y1 119.494(7) 79 . ?
Pt1 Ga1 Y1 119.494(7) . 81 ?
Pt1 Ga1 Y1 120.91(2) 81 81 ?
Pt1 Ga1 Y1 59.09(2) 9 81 ?
Pt1 Ga1 Y1 60.506(7) 73 81 ?
Pt1 Ga1 Y1 119.494(7) 7 81 ?
Pt1 Ga1 Y1 60.506(7) 79 81 ?
Y1 Ga1 Y1 106.99(3) . 81 ?
Pt1 Ga1 Y1 59.09(2) . 73 ?
Pt1 Ga1 Y1 60.506(7) 81 73 ?
Pt1 Ga1 Y1 119.494(7) 9 73 ?
Pt1 Ga1 Y1 120.91(2) 73 73 ?
Pt1 Ga1 Y1 119.494(7) 7 73 ?
Pt1 Ga1 Y1 60.506(7) 79 73 ?
Y1 Ga1 Y1 180.00(4) . 73 ?
Y1 Ga1 Y1 73.01(3) 81 73 ?
Pt1 Ga1 Y1 60.506(7) . 5 ?
Pt1 Ga1 Y1 119.494(7) 81 5 ?
Pt1 Ga1 Y1 60.506(7) 9 5 ?
Pt1 Ga1 Y1 119.494(7) 73 5 ?
Pt1 Ga1 Y1 120.91(2) 7 5 ?
Pt1 Ga1 Y1 59.09(2) 79 5 ?
Y1 Ga1 Y1 73.01(3) . 5 ?
Y1 Ga1 Y1 106.99(3) 81 5 ?
Y1 Ga1 Y1 106.99(3) 73 5 ?
Pt1 Ga1 Y1 119.494(7) . 77 ?
Pt1 Ga1 Y1 60.506(7) 81 77 ?
Pt1 Ga1 Y1 119.494(7) 9 77 ?
Pt1 Ga1 Y1 60.506(7) 73 77 ?
Pt1 Ga1 Y1 59.09(2) 7 77 ?
Pt1 Ga1 Y1 120.91(2) 79 77 ?
Y1 Ga1 Y1 106.99(3) . 77 ?
Y1 Ga1 Y1 73.01(3) 81 77 ?
Y1 Ga1 Y1 73.01(3) 73 77 ?
Y1 Ga1 Y1 180 5 77 ?
Pt1 Ga1 Y1 60.506(7) . 9 ?
Pt1 Ga1 Y1 59.09(2) 81 9 ?
Pt1 Ga1 Y1 120.91(2) 9 9 ?
Pt1 Ga1 Y1 119.494(7) 73 9 ?
Pt1 Ga1 Y1 60.506(7) 7 9 ?
Pt1 Ga1 Y1 119.494(7) 79 9 ?
Y1 Ga1 Y1 73.01(3) . 9 ?
Y1 Ga1 Y1 180 81 9 ?
Y1 Ga1 Y1 106.99(3) 73 9 ?
Y1 Ga1 Y1 73.01(3) 5 9 ?
Y1 Ga1 Y1 106.99(3) 77 9 ?

