data_[Li4Cr2Fe2O8]
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 [5.1532]
_cell_length_b [5.1736]
_cell_length_c [5.9503]
_cell_angle_alpha [73.2484]
_cell_angle_beta [89.9764]
_cell_angle_gamma [80.4212]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2CrFeO4]
_chemical_formula_sum '[Li4 Cr2 Fe2 O8]'
_cell_volume [149.5993]
_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  2  0.4992  0.9988  0.7513  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Li  Li2  1  0.0000  0.0000  0.5000  1.0
  Cr  Cr3  2  0.2499  0.5012  0.8751  1.0
  Fe  Fe4  2  0.2500  0.4994  0.3750  1.0
  O  O5  2  0.1197  0.2741  0.1803  1.0
  O  O6  2  0.1230  0.2730  0.6840  1.0
  O  O7  2  0.3765  0.7286  0.5694  1.0
  O  O8  2  0.3809  0.7246  0.0684  1.0
]