data_[Li8Ti2Cr2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.0958]
_cell_length_b [8.7083]
_cell_length_c [5.1397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li4TiCrO6]
_chemical_formula_sum '[Li8 Ti2 Cr2 O12]'
_cell_volume [214.0436]
_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  0.0000  0.3461  0.5000  1.0
  Li  Li1  2  0.0000  0.5020  0.0000  1.0
  Li  Li2  2  0.0000  0.6667  0.5000  1.0
  Li  Li3  2  0.0000  0.9935  0.5000  1.0
  Ti  Ti4  2  0.0000  0.1736  0.0000  1.0
  Cr  Cr5  2  0.0000  0.8345  0.0000  1.0
  O  O6  4  0.2190  0.0013  0.2288  1.0
  O  O7  4  0.2466  0.8260  0.7710  1.0
  O  O8  4  0.2489  0.6850  0.2252  1.0
]