data_[Li6V2Cr6O16]
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 [10.3286]
_cell_length_b [5.8637]
_cell_length_c [5.9483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6378]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3VCr3O8]
_chemical_formula_sum '[Li6 V2 Cr6 O16]'
_cell_volume [296.4039]
_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  4  0.2500  0.2500  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  V  V2  2  0.0000  0.0000  0.0000  1.0
  Cr  Cr3  4  0.2500  0.2500  0.0000  1.0
  Cr  Cr4  2  0.0000  0.5000  0.0000  1.0
  O  O5  8  0.0100  0.2445  0.7839  1.0
  O  O6  4  0.2334  0.5000  0.2141  1.0
  O  O7  4  0.2381  0.0000  0.2249  1.0
]