data_[Li2Cr4O6]
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 [P1]
_cell_length_a [5.1609]
_cell_length_b [5.2559]
_cell_length_c [5.3789]
_cell_angle_alpha [98.3086]
_cell_angle_beta [102.9670]
_cell_angle_gamma [119.3920]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiCr2O3]
_chemical_formula_sum '[Li2 Cr4 O6]'
_cell_volume [118.1799]
_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  1  0.0869  0.9135  0.2410  1.0
  Li  Li1  1  0.9157  0.0856  0.7568  1.0
  Cr  Cr2  1  0.2489  0.7558  0.7464  1.0
  Cr  Cr3  1  0.4167  0.5850  0.2476  1.0
  Cr  Cr4  1  0.5837  0.4150  0.7524  1.0
  Cr  Cr5  1  0.7490  0.2333  0.2513  1.0
  O  O6  1  0.0141  0.5215  0.9788  1.0
  O  O7  1  0.1866  0.3678  0.5080  1.0
  O  O8  1  0.3494  0.1559  0.9739  1.0
  O  O9  1  0.4824  0.0165  0.5370  1.0
  O  O10  1  0.6514  0.8134  0.9959  1.0
  O  O11  1  0.8151  0.6369  0.5108  1.0
]