# generated using pymatgen data_TiFePPt8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91839344 _cell_length_b 3.91839344 _cell_length_c 10.76439642 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiFePPt8 _chemical_formula_sum 'Ti1 Fe1 P1 Pt8' _cell_volume 165.27446663 _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 Ti Ti0 1 0.50000000 0.50000000 0.82071088 1.0 Fe Fe1 1 0.50000000 0.50000000 0.18484432 1.0 P P2 1 0.00000000 0.00000000 0.49807769 1.0 Pt Pt3 1 0.50000000 0.00000000 0.99811872 1.0 Pt Pt4 1 0.00000000 0.50000000 0.99811872 1.0 Pt Pt5 1 0.50000000 0.00000000 0.63591661 1.0 Pt Pt6 1 0.00000000 0.50000000 0.63591661 1.0 Pt Pt7 1 0.50000000 0.00000000 0.36467809 1.0 Pt Pt8 1 0.00000000 0.50000000 0.36467809 1.0 Pt Pt9 1 0.00000000 0.00000000 0.81935746 1.0 Pt Pt10 1 0.00000000 0.00000000 0.17958379 1.0