data_[Li6Cr2Fe4O12]
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/m]
_cell_length_a [13.0019]
_cell_length_b [2.9763]
_cell_length_c [5.9692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5181]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Cr(FeO3)2]
_chemical_formula_sum '[Li6 Cr2 Fe4 O12]'
_cell_volume [224.5912]
_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  4  0.1657  0.5000  0.3339  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Cr  Cr2  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe3  4  0.1668  0.5000  0.8330  1.0
  O  O4  4  0.0048  0.5000  0.7349  1.0
  O  O5  4  0.1611  0.0000  0.5941  1.0
  O  O6  4  0.1709  0.0000  0.0725  1.0
]