# generated using pymatgen data_Sc(Fe2P)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.21181161 _cell_length_b 7.21181161 _cell_length_c 3.52668448 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc(Fe2P)2 _chemical_formula_sum 'Sc2 Fe8 P4' _cell_volume 183.42365930 _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 Sc Sc0 1 0.00000000 -0.00000000 0.50000000 1.0 Sc Sc1 1 0.50000000 0.50000000 -0.00000000 1.0 Fe Fe2 1 0.33865391 0.08601804 0.00000000 1.0 Fe Fe3 1 0.58601804 0.16134609 0.50000000 1.0 Fe Fe4 1 0.41398196 0.83865391 0.50000000 1.0 Fe Fe5 1 0.66134609 0.91398196 0.00000000 1.0 Fe Fe6 1 0.16134609 0.58601804 0.50000000 1.0 Fe Fe7 1 0.83865391 0.41398196 0.50000000 1.0 Fe Fe8 1 0.08601804 0.33865391 0.00000000 1.0 Fe Fe9 1 0.91398196 0.66134609 0.00000000 1.0 P P10 1 0.79165903 0.20834097 -0.00000000 1.0 P P11 1 0.70834097 0.70834097 0.50000000 1.0 P P12 1 0.29165903 0.29165903 0.50000000 1.0 P P13 1 0.20834097 0.79165903 -0.00000000 1.0