data_[Li2Ti2Cr2O8]
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 [Pmc2_1]
_cell_length_a [2.9899]
_cell_length_b [5.0282]
_cell_length_c [9.6374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [LiTiCrO4]
_chemical_formula_sum '[Li2 Ti2 Cr2 O8]'
_cell_volume [144.8903]
_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  0.1915  0.0333  1.0
  Ti  Ti1  2  0.0000  0.2430  0.3570  1.0
  Cr  Cr2  2  0.5000  0.2585  0.6383  1.0
  O  O3  2  0.0000  0.0288  0.7170  1.0
  O  O4  2  0.0000  0.4394  0.5391  1.0
  O  O5  2  0.5000  0.0386  0.4624  1.0
  O  O6  2  0.5000  0.4457  0.2859  1.0
]