# generated using pymatgen data_SmFeSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00258686 _cell_length_b 4.29575615 _cell_length_c 7.99764689 _cell_angle_alpha 76.17215861 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmFeSi2 _chemical_formula_sum 'Sm2 Fe2 Si4' _cell_volume 133.52728133 _cell_formula_units_Z 2 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 0.60692837 0.79275484 1.0 Sm Sm1 1 0.75000000 0.39307163 0.20724516 1.0 Fe Fe2 1 0.25000000 0.88393262 0.39202960 1.0 Fe Fe3 1 0.75000000 0.11606738 0.60797040 1.0 Si Si4 1 0.25000000 0.95484707 0.09877655 1.0 Si Si5 1 0.75000000 0.04515293 0.90122345 1.0 Si Si6 1 0.25000000 0.32613629 0.49655805 1.0 Si Si7 1 0.75000000 0.67386371 0.50344195 1.0