data_[Li8V4Cr4O16]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6904]
_cell_length_b [2.9702]
_cell_length_c [5.1396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2VCrO4]
_chemical_formula_sum '[Li8 V4 Cr4 O16]'
_cell_volume [299.1512]
_cell_formula_units_Z [4]
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  4  0.2494  0.5000  0.7559  1.0
  Li  Li1  2  0.0000  0.0000  0.5000  1.0
  Li  Li2  2  0.0000  0.5000  0.0000  1.0
  V  V3  4  0.1251  0.5000  0.3752  1.0
  Cr  Cr4  4  0.1249  0.0000  0.8749  1.0
  O  O5  4  0.0677  0.5000  0.6930  1.0
  O  O6  4  0.0682  0.0000  0.1880  1.0
  O  O7  4  0.1819  0.5000  0.0563  1.0
  O  O8  4  0.1821  0.0000  0.5629  1.0
]