data_[Li8Cr2O8]
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 [5.1856]
_cell_length_b [5.2164]
_cell_length_c [7.7374]
_cell_angle_alpha [70.6959]
_cell_angle_beta [83.2391]
_cell_angle_gamma [67.8288]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li4CrO4]
_chemical_formula_sum '[Li8 Cr2 O8]'
_cell_volume [182.9162]
_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  0.2167  0.6065  0.2082  1.0
  Li  Li1  2  0.2391  0.4925  0.5612  1.0
  Li  Li2  2  0.2502  0.0847  0.4172  1.0
  Li  Li3  2  0.2589  0.2400  0.9957  1.0
  Cr  Cr4  2  0.2201  0.8385  0.7744  1.0
  O  O5  2  0.0001  0.6292  0.8060  1.0
  O  O6  2  0.0284  0.1968  0.6252  1.0
  O  O7  2  0.3400  0.8409  0.9797  1.0
  O  O8  2  0.4857  0.6988  0.6169  1.0
]