data_[Li15Fe12O24]
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 [R3m]
_cell_length_a [6.0513]
_cell_length_b [6.0513]
_cell_length_c [14.8556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Li5(FeO2)4]
_chemical_formula_sum '[Li15 Fe12 O24]'
_cell_volume [471.1118]
_cell_formula_units_Z [3]
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  9  0.1965  0.3931  0.8378  1.0
  Li  Li1  3  0.0000  0.0000  0.5093  1.0
  Li  Li2  3  0.0000  0.0000  0.8760  1.0
  Fe  Fe3  9  0.1668  0.3336  0.3429  1.0
  Fe  Fe4  3  0.0000  0.0000  0.0222  1.0
  O  O5  9  0.0025  0.5013  0.2676  1.0
  O  O6  9  0.1740  0.3481  0.0889  1.0
  O  O7  3  0.0000  0.0000  0.2646  1.0
  O  O8  3  0.0000  0.0000  0.7525  1.0
]