data_[Li4Cr3Fe1O8]
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 [P-1]
_cell_length_a [5.1098]
_cell_length_b [5.1732]
_cell_length_c [5.9437]
_cell_angle_alpha [106.7008]
_cell_angle_beta [89.9967]
_cell_angle_gamma [99.4078]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li4Cr3FeO8]
_chemical_formula_sum '[Li4 Cr3 Fe1 O8]'
_cell_volume [148.2840]
_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  2  0.2495  0.5002  0.1251  1.0
  Li  Li1  2  0.2508  0.5001  0.6249  1.0
  Cr  Cr2  2  0.0002  0.0000  0.7506  1.0
  Cr  Cr3  1  0.5000  0.0000  0.0000  1.0
  Fe  Fe4  1  0.5000  0.0000  0.5000  1.0
  O  O5  2  0.1252  0.7731  0.4432  1.0
  O  O6  2  0.1286  0.7744  0.9436  1.0
  O  O7  2  0.3708  0.2276  0.8084  1.0
  O  O8  2  0.3708  0.2280  0.3055  1.0
]