# generated using pymatgen data_NaFeNi4P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62005992 _cell_length_b 10.20415833 _cell_length_c 11.70726961 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaFeNi4P3 _chemical_formula_sum 'Na4 Fe4 Ni16 P12' _cell_volume 432.46261251 _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 Na Na0 1 0.25000000 0.58046423 0.70601013 1.0 Na Na1 1 0.25000000 0.91953577 0.20601013 1.0 Na Na2 1 0.75000000 0.41953577 0.29398987 1.0 Na Na3 1 0.75000000 0.08046423 0.79398987 1.0 Fe Fe4 1 0.25000000 0.46395828 0.93024037 1.0 Fe Fe5 1 0.25000000 0.03604172 0.43024037 1.0 Fe Fe6 1 0.75000000 0.53604172 0.06975963 1.0 Fe Fe7 1 0.75000000 0.96395828 0.56975963 1.0 Ni Ni8 1 0.25000000 0.71377197 0.99731085 1.0 Ni Ni9 1 0.25000000 0.78622803 0.49731085 1.0 Ni Ni10 1 0.75000000 0.28622803 0.00268915 1.0 Ni Ni11 1 0.75000000 0.21377197 0.50268915 1.0 Ni Ni12 1 0.25000000 0.40772053 0.48424040 1.0 Ni Ni13 1 0.25000000 0.09227947 0.98424040 1.0 Ni Ni14 1 0.75000000 0.59227947 0.51575960 1.0 Ni Ni15 1 0.75000000 0.90772053 0.01575960 1.0 Ni Ni16 1 0.25000000 0.21955701 0.17437715 1.0 Ni Ni17 1 0.25000000 0.28044299 0.67437715 1.0 Ni Ni18 1 0.75000000 0.78044299 0.82562285 1.0 Ni Ni19 1 0.75000000 0.71955701 0.32562285 1.0 Ni Ni20 1 0.25000000 0.87797280 0.70271994 1.0 Ni Ni21 1 0.25000000 0.62202720 0.20271994 1.0 Ni Ni22 1 0.75000000 0.12202720 0.29728006 1.0 Ni Ni23 1 0.75000000 0.37797280 0.79728006 1.0 P P24 1 0.25000000 0.42347738 0.11066449 1.0 P P25 1 0.25000000 0.07652262 0.61066449 1.0 P P26 1 0.75000000 0.57652262 0.88933551 1.0 P P27 1 0.75000000 0.92347738 0.38933551 1.0 P P28 1 0.25000000 0.26756466 0.86622496 1.0 P P29 1 0.25000000 0.23243534 0.36622496 1.0 P P30 1 0.75000000 0.73243534 0.13377504 1.0 P P31 1 0.75000000 0.76756466 0.63377504 1.0 P P32 1 0.25000000 0.60297598 0.39380120 1.0 P P33 1 0.25000000 0.89702402 0.89380120 1.0 P P34 1 0.75000000 0.39702402 0.60619880 1.0 P P35 1 0.75000000 0.10297598 0.10619880 1.0