# generated using pymatgen
data_VNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00269985
_cell_length_b   5.01085207
_cell_length_c   5.33254050
_cell_angle_alpha   62.99660905
_cell_angle_beta   62.30062598
_cell_angle_gamma   59.06659542
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNiO3
_chemical_formula_sum   'V2 Ni2 O6'
_cell_volume   97.36441447
_cell_formula_units_Z   2
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  0.64140983  0.64710553  0.05692795  1.0
  V  V1  1  0.35859017  0.35289447  0.94307205  1.0
  Ni  Ni2  1  0.84989194  0.84930798  0.44845810  1.0
  Ni  Ni3  1  0.15010806  0.15069202  0.55154190  1.0
  O  O4  1  0.26883936  0.92916116  0.23866445  1.0
  O  O5  1  0.73116064  0.07083884  0.76133555  1.0
  O  O6  1  0.44705159  0.73365517  0.75714051  1.0
  O  O7  1  0.55294841  0.26634483  0.24285949  1.0
  O  O8  1  0.94991687  0.54463063  0.23938621  1.0
  O  O9  1  0.05008313  0.45536937  0.76061379  1.0