data_[Li2Ti1Cr1O4]
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 [P2/m]
_cell_length_a [5.0994]
_cell_length_b [2.9442]
_cell_length_c [5.2141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2TiCrO4]
_chemical_formula_sum '[Li2 Ti1 Cr1 O4]'
_cell_volume [74.0238]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Li  Li1  1  0.5000  0.0000  0.0000  1.0
  Ti  Ti2  1  0.0000  0.0000  0.5000  1.0
  Cr  Cr3  1  0.5000  0.5000  0.5000  1.0
  O  O4  2  0.2468  0.5000  0.7343  1.0
  O  O5  2  0.2589  0.0000  0.2706  1.0
]