# generated using pymatgen data_Ca3La8Tb9Si16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.90877270 _cell_length_b 7.90877270 _cell_length_c 14.47959623 _cell_angle_alpha 89.90002777 _cell_angle_beta 90.09997223 _cell_angle_gamma 89.97741390 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3La8Tb9Si16 _chemical_formula_sum 'Ca3 La8 Tb9 Si16' _cell_volume 905.67688329 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.68518725 0.68518725 0.50000000 1.0 Ca Ca1 1 0.81567983 0.18506636 0.75022522 1.0 Ca Ca2 1 0.18506636 0.81567983 0.24977478 1.0 La La3 1 0.98872377 0.64026940 0.04057956 1.0 La La4 1 0.01045002 0.36048165 0.54073416 1.0 La La5 1 0.64026940 0.98872377 0.95942044 1.0 La La6 1 0.14009564 0.50862495 0.79102425 1.0 La La7 1 0.86182503 0.49175254 0.29173296 1.0 La La8 1 0.50862495 0.14009564 0.20897575 1.0 La La9 1 0.49175254 0.86182503 0.70826704 1.0 La La10 1 0.36048165 0.01045002 0.45926584 1.0 Tb Tb11 1 0.36548861 0.49489499 0.37557842 1.0 Tb Tb12 1 0.86541203 0.00623140 0.37382970 1.0 Tb Tb13 1 0.99250537 0.13403721 0.12618649 1.0 Tb Tb14 1 0.00623140 0.86541203 0.62617030 1.0 Tb Tb15 1 0.63390671 0.50656864 0.87587864 1.0 Tb Tb16 1 0.49489499 0.36548861 0.62442158 1.0 Tb Tb17 1 0.50656864 0.63390671 0.12412136 1.0 Tb Tb18 1 0.13403721 0.99250537 0.87381351 1.0 Tb Tb19 1 0.31398407 0.31398407 0.00000000 1.0 Si Si20 1 0.07460272 0.71065550 0.44186945 1.0 Si Si21 1 0.93383866 0.29100795 0.94239177 1.0 Si Si22 1 0.71065550 0.07460272 0.55813055 1.0 Si Si23 1 0.21096988 0.42475992 0.18930487 1.0 Si Si24 1 0.78930004 0.57335835 0.69130483 1.0 Si Si25 1 0.42475992 0.21096988 0.81069513 1.0 Si Si26 1 0.57335835 0.78930004 0.30869517 1.0 Si Si27 1 0.29100795 0.93383866 0.05760823 1.0 Si Si28 1 0.84795509 0.78585215 0.81151760 1.0 Si Si29 1 0.15104108 0.21334023 0.31223301 1.0 Si Si30 1 0.78585215 0.84795509 0.18848240 1.0 Si Si31 1 0.28821460 0.65284781 0.56180931 1.0 Si Si32 1 0.70607401 0.34499755 0.05925784 1.0 Si Si33 1 0.65284781 0.28821460 0.43819069 1.0 Si Si34 1 0.34499755 0.70607401 0.94074216 1.0 Si Si35 1 0.21334023 0.15104108 0.68776699 1.0