data_[Li4Cr2O4]
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 [P-1]
_cell_length_a [3.5056]
_cell_length_b [5.4172]
_cell_length_c [5.9351]
_cell_angle_alpha [66.3101]
_cell_angle_beta [78.2226]
_cell_angle_gamma [79.8675]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2CrO2]
_chemical_formula_sum '[Li4 Cr2 O4]'
_cell_volume [100.4862]
_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  0.0569  0.7289  0.3704  1
  Li  Li1  2  0.4428  0.7681  0.6336  1
  Cr  Cr2  2  0.2491  0.2443  0.0004  1
  O  O3  2  0.0404  0.4288  0.2559  1
  O  O4  2  0.4621  0.0749  0.7379  1
]