# generated using pymatgen data_Sm8Ti3Si16Mo9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97057891 _cell_length_b 6.97057847 _cell_length_c 12.92449637 _cell_angle_alpha 90.02145490 _cell_angle_beta 89.97854481 _cell_angle_gamma 89.77459397 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm8Ti3Si16Mo9 _chemical_formula_sum 'Sm8 Ti3 Si16 Mo9' _cell_volume 627.98298263 _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 Sm Sm0 1 0.33752219 0.00308536 0.46849139 1.0 Sm Sm1 1 0.49651778 0.83736965 0.71884983 1.0 Sm Sm2 1 0.50087883 0.16397060 0.21706669 1.0 Sm Sm3 1 0.83736965 0.49651778 0.28115017 1.0 Sm Sm4 1 0.16397060 0.50087883 0.78293331 1.0 Sm Sm5 1 0.66098176 0.99872739 0.96881724 1.0 Sm Sm6 1 0.00308536 0.33752219 0.53150861 1.0 Sm Sm7 1 0.99872739 0.66098176 0.03118276 1.0 Ti Ti8 1 0.16954897 0.83212707 0.24852224 1.0 Ti Ti9 1 0.83212707 0.16954897 0.75147776 1.0 Ti Ti10 1 0.66775429 0.66775429 0.50000000 1.0 Si Si11 1 0.20068089 0.12521323 0.68630491 1.0 Si Si12 1 0.37852118 0.69590855 0.93706277 1.0 Si Si13 1 0.62454173 0.29881110 0.43629845 1.0 Si Si14 1 0.69590855 0.37852118 0.06293723 1.0 Si Si15 1 0.29881110 0.62454173 0.56370155 1.0 Si Si16 1 0.79787645 0.87580239 0.18683102 1.0 Si Si17 1 0.12521323 0.20068089 0.31369509 1.0 Si Si18 1 0.87580239 0.79787645 0.81316898 1.0 Si Si19 1 0.28472512 0.96463205 0.06129435 1.0 Si Si20 1 0.53879899 0.78854487 0.31278117 1.0 Si Si21 1 0.45945678 0.21308241 0.81468377 1.0 Si Si22 1 0.78854487 0.53879899 0.68721883 1.0 Si Si23 1 0.21308241 0.45945678 0.18531623 1.0 Si Si24 1 0.71295465 0.03916256 0.56257279 1.0 Si Si25 1 0.96463205 0.28472512 0.93870565 1.0 Si Si26 1 0.03916256 0.71295465 0.43742721 1.0 Mo Mo27 1 0.33150017 0.33150017 0.00000000 1.0 Mo Mo28 1 0.15825192 0.00451180 0.87320243 1.0 Mo Mo29 1 0.49224831 0.66716817 0.12597762 1.0 Mo Mo30 1 0.50869573 0.33983462 0.62491579 1.0 Mo Mo31 1 0.66716817 0.49224831 0.87402238 1.0 Mo Mo32 1 0.33983462 0.50869573 0.37508421 1.0 Mo Mo33 1 0.83931589 0.99127657 0.37429883 1.0 Mo Mo34 1 0.00451180 0.15825192 0.12679757 1.0 Mo Mo35 1 0.99127657 0.83931589 0.62570117 1.0