data_[Li8Fe2O8]
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 [P-1]
_cell_length_a [5.1129]
_cell_length_b [5.3482]
_cell_length_c [7.7923]
_cell_angle_alpha [70.6717]
_cell_angle_beta [78.3280]
_cell_angle_gamma [66.1673]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li4FeO4]
_chemical_formula_sum '[Li8 Fe2 O8]'
_cell_volume [183.3422]
_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  0.2461  0.4744  0.9214  1.0
  Li  Li1  2  0.2486  0.7604  0.5008  1.0
  Li  Li2  2  0.2536  0.9384  0.0683  1.0
  Li  Li3  2  0.3062  0.1713  0.7076  1.0
  Fe  Fe4  2  0.2634  0.3949  0.2756  1.0
  O  O5  2  0.0228  0.6925  0.1101  1.0
  O  O6  2  0.1745  0.1675  0.4891  1.0
  O  O7  2  0.4360  0.1619  0.1273  1.0
  O  O8  2  0.4975  0.5611  0.3072  1.0
]