data_[Li8Fe4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.0835]
_cell_length_b [8.8012]
_cell_length_c [5.0974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5654]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li2FeO3]
_chemical_formula_sum '[Li8 Fe4 O12]'
_cell_volume [214.8949]
_cell_formula_units_Z [4]
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  0.0226  0.0000  1
  Li  Li1  2  0.0000  0.3399  0.0000  1
  Li  Li2  2  0.0000  0.5070  0.5000  1
  Li  Li3  2  0.0000  0.6664  0.0000  1
  Fe  Fe4  2  0.0000  0.1744  0.5000  1
  Fe  Fe5  2  0.0000  0.8413  0.5000  1
  O  O6  4  0.2197  0.0153  0.7319  1
  O  O7  4  0.2338  0.1811  0.2770  1
  O  O8  4  0.2409  0.3239  0.7288  1
]