# generated using pymatgen data_Sm3Si2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17322454 _cell_length_b 11.55548908 _cell_length_c 11.55859992 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Si2Ni _chemical_formula_sum 'Sm12 Si8 Ni4' _cell_volume 557.39788397 _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 Sm Sm0 1 0.25000000 0.37480449 0.56151344 1.0 Sm Sm1 1 0.75000000 0.55747258 0.11664433 1.0 Sm Sm2 1 0.75000000 0.19670240 0.78680128 1.0 Sm Sm3 1 0.25000000 0.69670240 0.71319872 1.0 Sm Sm4 1 0.75000000 0.62519551 0.43848656 1.0 Sm Sm5 1 0.75000000 0.87480449 0.93848656 1.0 Sm Sm6 1 0.25000000 0.80329760 0.21319872 1.0 Sm Sm7 1 0.25000000 0.44252742 0.88335567 1.0 Sm Sm8 1 0.75000000 0.30329760 0.28680128 1.0 Sm Sm9 1 0.25000000 0.12519551 0.06151344 1.0 Sm Sm10 1 0.75000000 0.94252742 0.61664433 1.0 Sm Sm11 1 0.25000000 0.05747258 0.38335567 1.0 Si Si12 1 0.25000000 0.49116823 0.30023801 1.0 Si Si13 1 0.25000000 0.81348148 0.47113003 1.0 Si Si14 1 0.25000000 0.68651852 0.97113003 1.0 Si Si15 1 0.75000000 0.99116823 0.19976199 1.0 Si Si16 1 0.75000000 0.50883177 0.69976199 1.0 Si Si17 1 0.25000000 0.00883177 0.80023801 1.0 Si Si18 1 0.75000000 0.18651852 0.52886997 1.0 Si Si19 1 0.75000000 0.31348148 0.02886997 1.0 Ni Ni20 1 0.25000000 0.13507355 0.62888755 1.0 Ni Ni21 1 0.75000000 0.86492645 0.37111245 1.0 Ni Ni22 1 0.25000000 0.36492645 0.12888755 1.0 Ni Ni23 1 0.75000000 0.63507355 0.87111245 1.0