# generated using pymatgen
data_V3NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50396596
_cell_length_b   5.50396596
_cell_length_c   5.50396606
_cell_angle_alpha   54.85610116
_cell_angle_beta   54.85610116
_cell_angle_gamma   54.85610211
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3NiO6
_chemical_formula_sum   'V3 Ni1 O6'
_cell_volume   103.78074125
_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  0.64943400  0.64943400  0.64943400  1.0
  V  V1  1  0.85021200  0.85021200  0.85021200  1.0
  V  V2  1  0.34899100  0.34899100  0.34899100  1.0
  Ni  Ni3  1  0.14807800  0.14807800  0.14807800  1.0
  O  O4  1  0.93896100  0.56591100  0.25157100  1.0
  O  O5  1  0.25157100  0.93896100  0.56591100  1.0
  O  O6  1  0.56591100  0.25157100  0.93896100  1.0
  O  O7  1  0.73939600  0.05293700  0.45451100  1.0
  O  O8  1  0.45451100  0.73939600  0.05293700  1.0
  O  O9  1  0.05293700  0.45451100  0.73939600  1.0