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data_created_by_vaspkit_code _audit_creation_date Thu Jan 13 20:19:34 2022 _pd_phase_name 'CIF files' _cell_length_a 7.50956229 _cell_length_b 9.68603869 _cell_length_c 10.39405119 _cell_angle_alpha 75.4515 _cell_angle_beta 83.1011 _cell_angle_gamma 76.0806 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_U_iso_or_equiv _atom_site_type_symbol Cs001 1.0 0.378153 0.871436 0.304853 Uiso 1.00 Cs Cs002 1.0 0.621847 0.128564 0.695147 Uiso 1.00 Cs Bi001 1.0 0.873619 0.634477 0.629049 Uiso 1.00 Bi Bi002 1.0 0.126381 0.365523 0.370951 Uiso 1.00 Bi Bi003 1.0 0.306546 0.698926 0.934209 Uiso 1.00 Bi Bi004 1.0 0.693454 0.301074 0.065791 Uiso 1.00 Bi I001 1.0 0.866965 0.859085 0.438632 Uiso 1.00 I I002 1.0 0.133035 0.140915 0.561368 Uiso 1.00 I I003 1.0 0.976508 0.778217 0.789219 Uiso 1.00 I I004 1.0 0.023492 0.221783 0.210781 Uiso 1.00 I I005 1.0 0.511522 0.754569 0.677804 Uiso 1.00 I I006 1.0 0.488478 0.245431 0.322196 Uiso 1.00 I I007 1.0 0.770459 0.486236 0.458847 Uiso 1.00 I I008 1.0 0.229541 0.513764 0.541153 Uiso 1.00 I I009 1.0 0.882899 0.350801 0.834233 Uiso 1.00 I I010 1.0 0.117101 0.649199 0.165767 Uiso 1.00 I I011 1.0 0.282634 0.962073 0.945218 Uiso 1.00 I I012 1.0 0.717366 0.037927 0.054782 Uiso 1.00 I I013 1.0 0.612389 0.619314 0.062091 Uiso 1.00 I I014 1.0 0.387611 0.380686 0.937909 Uiso 1.00 I |
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