# generated using pymatgen data_VFe2Ni3(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.38459120 _cell_length_b 8.38459120 _cell_length_c 8.38459142 _cell_angle_alpha 62.07583943 _cell_angle_beta 62.07583943 _cell_angle_gamma 62.07583478 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFe2Ni3(PO4)6 _chemical_formula_sum 'V1 Fe2 Ni3 P6 O24' _cell_volume 436.14495608 _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 0.85455900 0.85455900 0.85455900 1.0 Fe Fe1 1 0.00419500 0.00419500 0.00419500 1.0 Fe Fe2 1 0.50214900 0.50214900 0.50214900 1.0 Ni Ni3 1 0.35735600 0.35735600 0.35735600 1.0 Ni Ni4 1 0.14493800 0.14493800 0.14493800 1.0 Ni Ni5 1 0.64194800 0.64194800 0.64194800 1.0 P P6 1 0.45252300 0.74599100 0.04622800 1.0 P P7 1 0.74599100 0.04622800 0.45252300 1.0 P P8 1 0.04622800 0.45252300 0.74599100 1.0 P P9 1 0.95338500 0.54694700 0.24898500 1.0 P P10 1 0.24898500 0.95338500 0.54694700 1.0 P P11 1 0.54694700 0.24898500 0.95338500 1.0 O O12 1 0.67073900 0.89489300 0.49713300 1.0 O O13 1 0.89489300 0.49713300 0.67073900 1.0 O O14 1 0.49713300 0.67073900 0.89489300 1.0 O O15 1 0.25421500 0.90325000 0.06026600 1.0 O O16 1 0.62052600 0.82614100 0.98403500 1.0 O O17 1 0.45262400 0.60028600 0.24638600 1.0 O O18 1 0.90325000 0.06026600 0.25421500 1.0 O O19 1 0.60028600 0.24638600 0.45262400 1.0 O O20 1 0.99179800 0.39753600 0.17210000 1.0 O O21 1 0.24638600 0.45262400 0.60028600 1.0 O O22 1 0.93192800 0.75489600 0.08747900 1.0 O O23 1 0.17210000 0.99179800 0.39753600 1.0 O O24 1 0.82614100 0.98403500 0.62052600 1.0 O O25 1 0.06026600 0.25421500 0.90325000 1.0 O O26 1 0.74932200 0.56616600 0.39931900 1.0 O O27 1 0.98403500 0.62052600 0.82614100 1.0 O O28 1 0.39931900 0.74932200 0.56616600 1.0 O O29 1 0.08747900 0.93192800 0.75489600 1.0 O O30 1 0.56616600 0.39931900 0.74932200 1.0 O O31 1 0.39753600 0.17210000 0.99179800 1.0 O O32 1 0.75489600 0.08747900 0.93192800 1.0 O O33 1 0.51893500 0.31319800 0.10762900 1.0 O O34 1 0.10762900 0.51893500 0.31319800 1.0 O O35 1 0.31319800 0.10762900 0.51893500 1.0