# generated using pymatgen data_Fe3NiP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52444826 _cell_length_b 5.77663368 _cell_length_c 6.43405517 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3NiP2 _chemical_formula_sum 'Fe6 Ni2 P4' _cell_volume 130.99380215 _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 Fe Fe0 1 0.25000000 0.97320014 0.16345604 1.0 Fe Fe1 1 0.25000000 0.47320014 0.33654396 1.0 Fe Fe2 1 0.75000000 0.14646231 0.43313080 1.0 Fe Fe3 1 0.75000000 0.64646231 0.06686920 1.0 Fe Fe4 1 0.25000000 0.85304660 0.56683388 1.0 Fe Fe5 1 0.25000000 0.35304660 0.93316612 1.0 Ni Ni6 1 0.75000000 0.02747327 0.83337730 1.0 Ni Ni7 1 0.75000000 0.52747327 0.66662270 1.0 P P8 1 0.75000000 0.26836348 0.11876892 1.0 P P9 1 0.75000000 0.76836348 0.38123108 1.0 P P10 1 0.25000000 0.73145521 0.88096950 1.0 P P11 1 0.25000000 0.23145521 0.61903050 1.0