data_[Li2Fe16O24]
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 [6.0373]
_cell_length_b [6.0419]
_cell_length_c [13.4497]
_cell_angle_alpha [77.3786]
_cell_angle_beta [77.0567]
_cell_angle_gamma [89.9302]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li(Fe2O3)4]
_chemical_formula_sum '[Li2 Fe16 O24]'
_cell_volume [465.9889]
_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  1  0.0000  0.5000  0.0000  1
  Li  Li1  1  0.5000  0.0000  0.5000  1
  Fe  Fe2  2  0.0438  0.3009  0.4171  1
  Fe  Fe3  2  0.1580  0.1702  0.1654  1
  Fe  Fe4  2  0.1581  0.6682  0.1652  1
  Fe  Fe5  2  0.1723  0.1597  0.6624  1
  Fe  Fe6  2  0.2971  0.0380  0.9201  1
  Fe  Fe7  2  0.3333  0.8409  0.3372  1
  Fe  Fe8  2  0.3772  0.6259  0.7487  1
  Fe  Fe9  1  0.5000  0.5000  0.0000  1
  Fe  Fe10  1  0.5000  0.5000  0.5000  1
  O  O11  2  0.0666  0.5820  0.8321  1
  O  O12  2  0.0684  0.0798  0.8360  1
  O  O13  2  0.0956  0.6049  0.3241  1
  O  O14  2  0.0970  0.0840  0.3259  1
  O  O15  2  0.2574  0.2576  0.0064  1
  O  O16  2  0.2576  0.7380  0.0061  1
  O  O17  2  0.2591  0.2649  0.5007  1
  O  O18  2  0.2615  0.7434  0.4945  1
  O  O19  2  0.3941  0.9151  0.1717  1
  O  O20  2  0.4022  0.4222  0.1597  1
  O  O21  2  0.4241  0.9270  0.6701  1
  O  O22  2  0.4292  0.4069  0.6619  1
]