data_[Li4Cr2O6]
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 [2.9163]
_cell_length_b [5.9266]
_cell_length_c [6.4454]
_cell_angle_alpha [75.9986]
_cell_angle_beta [77.1073]
_cell_angle_gamma [89.3227]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2CrO3]
_chemical_formula_sum '[Li4 Cr2 O6]'
_cell_volume [105.2602]
_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  0.1614  0.8348  0.1809  1.0
  Li  Li1  1  0.5000  0.0000  0.5000  1.0
  Li  Li2  1  0.5000  0.5000  0.5000  1.0
  Cr  Cr3  2  0.1698  0.3224  0.1832  1.0
  O  O4  2  0.0074  0.2572  0.4772  1.0
  O  O5  2  0.3162  0.4381  0.8459  1.0
  O  O6  2  0.3406  0.8888  0.8397  1.0
]