data_[Li4Cr1Fe3O8]
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 [5.1722]
_cell_length_b [5.1849]
_cell_length_c [5.9663]
_cell_angle_alpha [73.2434]
_cell_angle_beta [89.9829]
_cell_angle_gamma [80.4892]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li4CrFe3O8]
_chemical_formula_sum '[Li4 Cr1 Fe3 O8]'
_cell_volume [150.9086]
_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  0.2479  0.5003  0.3752  1.0
  Li  Li1  2  0.2493  0.5014  0.8743  1.0
  Cr  Cr2  1  0.0000  0.0000  0.5000  1.0
  Fe  Fe3  2  0.4997  0.0004  0.2499  1.0
  Fe  Fe4  1  0.0000  0.0000  0.0000  1.0
  O  O5  2  0.1278  0.2284  0.1936  1.0
  O  O6  2  0.1283  0.2274  0.6923  1.0
  O  O7  2  0.3689  0.7726  0.5566  1.0
  O  O8  2  0.3729  0.7695  0.0580  1.0
]