data_[Li8Cr1Fe3O12]
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 [P2]
_cell_length_a [4.9570]
_cell_length_b [8.5310]
_cell_length_c [4.9970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Li8Cr(FeO4)3]
_chemical_formula_sum '[Li8 Cr1 Fe3 O12]'
_cell_volume [211.3105]
_cell_formula_units_Z [1]
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  0.0000  0.2332  0.5000  1
  Li  Li1  1  0.0000  0.2550  0.0000  1
  Li  Li2  1  0.0000  0.5671  0.0000  1
  Li  Li3  1  0.0000  0.9195  0.5000  1
  Li  Li4  1  0.5000  0.0668  0.5000  1
  Li  Li5  1  0.5000  0.4177  0.0000  1
  Li  Li6  1  0.5000  0.7312  0.0000  1
  Li  Li7  1  0.5000  0.7558  0.5000  1
  Cr  Cr8  1  0.0000  0.9026  0.0000  1
  Fe  Fe9  1  0.0000  0.5855  0.5000  1
  Fe  Fe10  1  0.5000  0.0837  0.0000  1
  Fe  Fe11  1  0.5000  0.4013  0.5000  1
  O  O12  2  0.1484  0.7477  0.2418  1
  O  O13  2  0.1737  0.0670  0.2145  1
  O  O14  2  0.1818  0.4150  0.2798  1
  O  O15  2  0.3215  0.5698  0.7191  1
  O  O16  2  0.3232  0.9171  0.7805  1
  O  O17  2  0.3533  0.2418  0.7491  1
]