data_[Li20Fe4O16]
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 [Pnnm]
_cell_length_a [7.0691]
_cell_length_b [8.1157]
_cell_length_c [6.9348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Li5FeO4]
_chemical_formula_sum '[Li20 Fe4 O16]'
_cell_volume [397.8552]
_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  8  0.0135  0.8474  0.2537  1
  Li  Li1  4  0.0000  0.5000  0.2249  1
  Li  Li2  4  0.2404  0.9234  0.5000  1
  Li  Li3  4  0.2464  0.2474  0.5000  1
  Fe  Fe4  4  0.2419  0.1171  0.0000  1
  O  O5  8  0.2208  0.0106  0.2422  1
  O  O6  4  0.0298  0.2739  0.0000  1
  O  O7  4  0.0304  0.7390  0.5000  1
]