data_[V2Ni1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9865]
_cell_length_b [5.1015]
_cell_length_c [5.2971]
_cell_angle_alpha [62.8571]
_cell_angle_beta [88.3873]
_cell_angle_gamma [60.8111]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [V2NiO6]
_chemical_formula_sum '[V2 Ni1 O6]'
_cell_volume [101.3559]
_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  0.4629  0.0464  0.4560  1.0
  V  V1  1  0.9812  0.0405  0.9657  1.0
  Ni  Ni2  1  0.6991  0.5985  0.0999  1.0
  O  O3  1  0.1328  0.4594  0.2904  1.0
  O  O4  1  0.2854  0.8632  0.7986  1.0
  O  O5  1  0.3855  0.8614  0.2812  1.0
  O  O6  1  0.6785  0.0477  0.7994  1.0
  O  O7  1  0.7515  0.1185  0.2763  1.0
  O  O8  1  0.8730  0.4636  0.7842  1.0
]