data_[Li6Fe8O16]
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/m]
_cell_length_a [8.1455]
_cell_length_b [8.4876]
_cell_length_c [5.8253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.3256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(FeO2)4]
_chemical_formula_sum '[Li6 Fe8 O16]'
_cell_volume [288.1085]
_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  4  0.2500  0.2500  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Fe  Fe2  4  0.2500  0.2500  0.0000  1.0
  Fe  Fe3  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe4  2  0.0000  0.5000  0.0000  1.0
  O  O5  4  0.0000  0.2443  0.5000  1.0
  O  O6  4  0.0000  0.2678  0.0000  1.0
  O  O7  4  0.2299  0.5000  0.4463  1.0
  O  O8  4  0.2395  0.5000  0.0026  1.0
]