data_[V4Ni2O12]
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 [Amm2]
_cell_length_a [5.2256]
_cell_length_b [5.4917]
_cell_length_c [9.5253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [V2NiO6]
_chemical_formula_sum '[V4 Ni2 O12]'
_cell_volume [273.3495]
_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  2  0.0000  0.0000  0.9344  1.0
  V  V1  2  0.5000  0.0000  0.0623  1.0
  Ni  Ni2  2  0.5000  0.0000  0.4437  1.0
  O  O3  8  0.2577  0.2232  0.9954  1.0
  O  O4  2  0.0000  0.0000  0.7656  1.0
  O  O5  2  0.5000  0.0000  0.2376  1.0
]