data_[Li8Al2Cr2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [4.9003]
_cell_length_b [8.4782]
_cell_length_c [4.9849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li4AlCrO6]
_chemical_formula_sum '[Li8 Al2 Cr2 O12]'
_cell_volume [195.2302]
_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  0.0000  0.0042  0.5000  1
  Li  Li1  2  0.0000  0.3392  0.5000  1
  Li  Li2  2  0.0000  0.4998  0.0000  1
  Li  Li3  2  0.0000  0.6578  0.5000  1
  Al  Al4  2  0.0000  0.8338  0.0000  1
  Cr  Cr5  2  0.0000  0.1681  0.0000  1
  O  O6  4  0.2166  0.0004  0.2277  1
  O  O7  4  0.2428  0.1789  0.7776  1
  O  O8  4  0.2455  0.8193  0.7753  1
]