# generated using pymatgen data_V2Fe3Ni(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.36875291 _cell_length_b 8.36875291 _cell_length_c 8.36875271 _cell_angle_alpha 62.34614096 _cell_angle_beta 62.34614096 _cell_angle_gamma 62.34613963 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2Fe3Ni(PO4)6 _chemical_formula_sum 'V2 Fe3 Ni1 P6 O24' _cell_volume 436.13919631 _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 V V0 1 0.00159400 0.00159400 0.00159400 1.0 V V1 1 0.50082700 0.50082700 0.50082700 1.0 Fe Fe2 1 0.64682100 0.64682100 0.64682100 1.0 Fe Fe3 1 0.85387900 0.85387900 0.85387900 1.0 Fe Fe4 1 0.35241700 0.35241700 0.35241700 1.0 Ni Ni5 1 0.14507900 0.14507900 0.14507900 1.0 P P6 1 0.95178000 0.24946500 0.54719900 1.0 P P7 1 0.54719900 0.95178000 0.24946500 1.0 P P8 1 0.24946500 0.54719900 0.95178000 1.0 P P9 1 0.74960200 0.45156000 0.04842300 1.0 P P10 1 0.45156000 0.04842300 0.74960200 1.0 P P11 1 0.04842300 0.74960200 0.45156000 1.0 O O12 1 0.50666300 0.10689900 0.32378900 1.0 O O13 1 0.32378900 0.50666300 0.10689900 1.0 O O14 1 0.10689900 0.32378900 0.50666300 1.0 O O15 1 0.93758600 0.09778100 0.75560700 1.0 O O16 1 0.98798200 0.17531300 0.39748400 1.0 O O17 1 0.74695600 0.40361600 0.56732700 1.0 O O18 1 0.75560700 0.93758600 0.09778100 1.0 O O19 1 0.56732700 0.74695600 0.40361600 1.0 O O20 1 0.82452100 0.60674900 0.00527100 1.0 O O21 1 0.40361600 0.56732700 0.74695600 1.0 O O22 1 0.89996100 0.24671500 0.06039100 1.0 O O23 1 0.60674900 0.00527100 0.82452100 1.0 O O24 1 0.39748400 0.98798200 0.17531300 1.0 O O25 1 0.09778100 0.75560700 0.93758600 1.0 O O26 1 0.59740200 0.43685600 0.25218200 1.0 O O27 1 0.17531300 0.39748400 0.98798200 1.0 O O28 1 0.43685600 0.25218200 0.59740200 1.0 O O29 1 0.24671500 0.06039100 0.89996100 1.0 O O30 1 0.25218200 0.59740200 0.43685600 1.0 O O31 1 0.00527100 0.82452100 0.60674900 1.0 O O32 1 0.06039100 0.89996100 0.24671500 1.0 O O33 1 0.89392800 0.67299500 0.49736500 1.0 O O34 1 0.67299500 0.49736500 0.89392800 1.0 O O35 1 0.49736500 0.89392800 0.67299500 1.0