# generated using pymatgen data_CaLa2(TbSi2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.92225296 _cell_length_b 7.92225296 _cell_length_c 14.45300310 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLa2(TbSi2)2 _chemical_formula_sum 'Ca4 La8 Tb8 Si16' _cell_volume 907.10070870 _cell_formula_units_Z 4 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 0.68553964 0.68553964 0.50000000 1.0 Ca Ca1 1 0.81446036 0.18553964 0.75000000 1.0 Ca Ca2 1 0.18553964 0.81446036 0.25000000 1.0 Ca Ca3 1 0.31446036 0.31446036 0.00000000 1.0 La La4 1 0.99094934 0.63904652 0.04061557 1.0 La La5 1 0.00905066 0.36095348 0.54061557 1.0 La La6 1 0.63904652 0.99094934 0.95938443 1.0 La La7 1 0.13904652 0.50905066 0.79061557 1.0 La La8 1 0.86095348 0.49094934 0.29061557 1.0 La La9 1 0.50905066 0.13904652 0.20938443 1.0 La La10 1 0.49094934 0.86095348 0.70938443 1.0 La La11 1 0.36095348 0.00905066 0.45938443 1.0 Tb Tb12 1 0.36649553 0.49433180 0.37620355 1.0 Tb Tb13 1 0.86649553 0.00566820 0.37379645 1.0 Tb Tb14 1 0.99433180 0.13350447 0.12620355 1.0 Tb Tb15 1 0.00566820 0.86649553 0.62620355 1.0 Tb Tb16 1 0.63350447 0.50566820 0.87620355 1.0 Tb Tb17 1 0.49433180 0.36649553 0.62379645 1.0 Tb Tb18 1 0.50566820 0.63350447 0.12379645 1.0 Tb Tb19 1 0.13350447 0.99433180 0.87379645 1.0 Si Si20 1 0.07464111 0.71067566 0.44213703 1.0 Si Si21 1 0.92535889 0.28932434 0.94213703 1.0 Si Si22 1 0.71067566 0.07464111 0.55786297 1.0 Si Si23 1 0.21067666 0.42535889 0.19213703 1.0 Si Si24 1 0.78932434 0.57464111 0.69213703 1.0 Si Si25 1 0.42535889 0.21067666 0.80786297 1.0 Si Si26 1 0.57464111 0.78932434 0.30786297 1.0 Si Si27 1 0.28932434 0.92535889 0.05786297 1.0 Si Si28 1 0.84878752 0.78655113 0.81258367 1.0 Si Si29 1 0.15121248 0.21344887 0.31258367 1.0 Si Si30 1 0.78655113 0.84878752 0.18741633 1.0 Si Si31 1 0.28655113 0.65121248 0.56258367 1.0 Si Si32 1 0.71344887 0.34878752 0.06258367 1.0 Si Si33 1 0.65121248 0.28655113 0.43741633 1.0 Si Si34 1 0.34878752 0.71344887 0.93741633 1.0 Si Si35 1 0.21344887 0.15121248 0.68741633 1.0