data_[Li8Cr2Fe2O12]
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
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [4.9590]
_cell_length_b [8.5958]
_cell_length_c [4.9797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li4CrFeO6]
_chemical_formula_sum '[Li8 Cr2 Fe2 O12]'
_cell_volume [200.1303]
_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  0.0065  0.5000  1
  Li  Li1  2  0.0000  0.3367  0.5000  1
  Li  Li2  2  0.0000  0.4999  0.0000  1
  Li  Li3  2  0.0000  0.6587  0.5000  1
  Cr  Cr4  2  0.0000  0.8332  0.0000  1
  Fe  Fe5  2  0.0000  0.1670  0.0000  1
  O  O6  4  0.2257  0.0058  0.2322  1
  O  O7  4  0.2377  0.1726  0.7732  1
  O  O8  4  0.2445  0.3207  0.2307  1
]