data_[Li2V4Ni2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P-1]
_cell_length_a [5.6434]
_cell_length_b [6.7729]
_cell_length_c [7.0676]
_cell_angle_alpha [77.6873]
_cell_angle_beta [74.6956]
_cell_angle_gamma [69.9073]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiV2NiO6]
_chemical_formula_sum '[Li2 V4 Ni2 O12]'
_cell_volume [242.4498]
_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
[
  Li  Li0  2  0.2453  0.2866  0.7388  1
  V  V1  2  0.1956  0.8572  0.6184  1
  V  V2  2  0.2440  0.3635  0.2142  1
  Ni  Ni3  2  0.2530  0.9150  0.0798  1
  O  O4  2  0.0924  0.6068  0.6819  1
  O  O5  2  0.1608  0.0010  0.8119  1
  O  O6  2  0.2068  0.9654  0.3623  1
  O  O7  2  0.2245  0.6174  0.1203  1
  O  O8  2  0.3516  0.2112  0.0144  1
  O  O9  2  0.4336  0.2844  0.3968  1
]