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 [P2/m]
_cell_length_a [5.1131]
_cell_length_b [5.9403]
_cell_length_c [5.1658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3804]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li4Cr3FeO8]
_chemical_formula_sum '[Li4 Cr3 Fe1 O8]'
_cell_volume [148.0100]
_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  0.0000  0.2493  0.0000  1.0
  Li  Li1  1  0.5000  0.0000  0.0000  1.0
  Li  Li2  1  0.5000  0.5000  0.0000  1.0
  Cr  Cr3  2  0.5000  0.2504  0.5000  1.0
  Cr  Cr4  1  0.0000  0.5000  0.5000  1.0
  Fe  Fe5  1  0.0000  0.0000  0.5000  1.0
  O  O6  4  0.2434  0.2517  0.7280  1.0
  O  O7  2  0.2585  0.5000  0.2741  1.0
  O  O8  2  0.2608  0.0000  0.2723  1.0
]