data_[Li4Cr8O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.3202]
_cell_length_b [8.9881]
_cell_length_c [5.3571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiCr2O3]
_chemical_formula_sum '[Li4 Cr8 O12]'
_cell_volume [238.0793]
_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  2  0.0000  0.0857  0.0000  1.0
  Li  Li1  2  0.0000  0.9156  0.5000  1.0
  Cr  Cr2  2  0.0000  0.2462  0.5000  1.0
  Cr  Cr3  2  0.0000  0.4139  0.0000  1.0
  Cr  Cr4  2  0.0000  0.5861  0.5000  1.0
  Cr  Cr5  2  0.0000  0.7561  0.0000  1.0
  O  O6  4  0.2253  0.4133  0.7518  1.0
  O  O7  4  0.2344  0.5930  0.2676  1.0
  O  O8  4  0.2408  0.2419  0.2771  1.0
]