data_[Li6Ti2Cr4O12]
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/m]
_cell_length_a [12.9896]
_cell_length_b [2.9503]
_cell_length_c [5.9720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3TiCr2O6]
_chemical_formula_sum '[Li6 Ti2 Cr4 O12]'
_cell_volume [221.9992]
_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  0.1692  0.0000  0.8309  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Ti  Ti2  2  0.0000  0.5000  0.0000  1.0
  Cr  Cr3  4  0.1659  0.0000  0.3319  1.0
  O  O4  4  0.0039  0.0000  0.2435  1.0
  O  O5  4  0.1631  0.5000  0.0944  1.0
  O  O6  4  0.1729  0.5000  0.5678  1.0
]