data_[Li12Cr9Fe3O24]
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 [R-3m]
_cell_length_a [5.9406]
_cell_length_b [5.9406]
_cell_length_c [14.5747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li4Cr3FeO8]
_chemical_formula_sum '[Li12 Cr9 Fe3 O24]'
_cell_volume [445.4497]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1.0
  Li  Li1  3  -0.0000  -0.0000  0.5000  1.0
  Cr  Cr2  9  0.0000  0.5000  0.0000  1.0
  Fe  Fe3  3  0.0000  0.0000  0.0000  1.0
  O  O4  18  0.0014  0.5007  0.2579  1.0
  O  O5  6  0.0000  0.0000  0.2586  1.0
]