data_[Li2V3Cr1O8]
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 [P-1]
_cell_length_a [5.8948]
_cell_length_b [5.9565]
_cell_length_c [5.9998]
_cell_angle_alpha [60.6128]
_cell_angle_beta [61.2990]
_cell_angle_gamma [60.4754]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2V3CrO8]
_chemical_formula_sum '[Li2 V3 Cr1 O8]'
_cell_volume [151.6211]
_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
[
  Li  Li0  1  0.0000  0.5000  0.5000  1.0
  Li  Li1  1  0.5000  0.0000  0.5000  1.0
  V  V2  1  0.0000  0.5000  0.0000  1.0
  V  V3  1  0.5000  0.0000  0.0000  1.0
  V  V4  1  0.5000  0.5000  0.0000  1.0
  Cr  Cr5  1  0.0000  0.0000  0.0000  1.0
  O  O6  2  0.2357  0.2363  0.7850  1.0
  O  O7  2  0.2525  0.7321  0.7982  1.0
  O  O8  2  0.2706  0.2572  0.2184  1.0
  O  O9  2  0.2775  0.7678  0.2040  1.0
]