# generated using pymatgen data_V3Fe2Ni(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.48744154 _cell_length_b 8.48744154 _cell_length_c 8.48744157 _cell_angle_alpha 61.17211407 _cell_angle_beta 61.17211407 _cell_angle_gamma 61.17210887 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3Fe2Ni(PO4)6 _chemical_formula_sum 'V3 Fe2 Ni1 P6 O24' _cell_volume 443.73088953 _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 0.35671700 0.35671700 0.35671700 1.0 V V1 1 0.14147000 0.14147000 0.14147000 1.0 V V2 1 0.64372700 0.64372700 0.64372700 1.0 Fe Fe3 1 0.99680000 0.99680000 0.99680000 1.0 Fe Fe4 1 0.49897200 0.49897200 0.49897200 1.0 Ni Ni5 1 0.85817300 0.85817300 0.85817300 1.0 P P6 1 0.45856700 0.75216000 0.04340900 1.0 P P7 1 0.75216000 0.04340900 0.45856700 1.0 P P8 1 0.04340900 0.45856700 0.75216000 1.0 P P9 1 0.95783800 0.54187800 0.25116500 1.0 P P10 1 0.25116500 0.95783800 0.54187800 1.0 P P11 1 0.54187800 0.25116500 0.95783800 1.0 O O12 1 0.68900700 0.87978300 0.49574600 1.0 O O13 1 0.87978300 0.49574600 0.68900700 1.0 O O14 1 0.49574600 0.68900700 0.87978300 1.0 O O15 1 0.25777100 0.91163700 0.05867100 1.0 O O16 1 0.61208400 0.81052600 0.01575900 1.0 O O17 1 0.43252800 0.58760500 0.24068700 1.0 O O18 1 0.91163700 0.05867100 0.25777100 1.0 O O19 1 0.58760500 0.24068700 0.43252800 1.0 O O20 1 0.99756300 0.37952000 0.18714900 1.0 O O21 1 0.24068700 0.43252800 0.58760500 1.0 O O22 1 0.94842500 0.73553000 0.09559900 1.0 O O23 1 0.18714900 0.99756300 0.37952000 1.0 O O24 1 0.81052600 0.01575900 0.61208400 1.0 O O25 1 0.05867100 0.25777100 0.91163700 1.0 O O26 1 0.76189600 0.55215000 0.41614500 1.0 O O27 1 0.01575900 0.61208400 0.81052600 1.0 O O28 1 0.41614500 0.76189600 0.55215000 1.0 O O29 1 0.09559900 0.94842500 0.73553000 1.0 O O30 1 0.55215000 0.41614500 0.76189600 1.0 O O31 1 0.37952000 0.18714900 0.99756300 1.0 O O32 1 0.73553000 0.09559900 0.94842500 1.0 O O33 1 0.49211700 0.32586700 0.11533600 1.0 O O34 1 0.11533600 0.49211700 0.32586700 1.0 O O35 1 0.32586700 0.11533600 0.49211700 1.0