data_[Li2Fe4O12]
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 [4.7960]
_cell_length_b [8.3910]
_cell_length_c [5.0506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5234]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(FeO3)2]
_chemical_formula_sum '[Li2 Fe4 O12]'
_cell_volume [181.8600]
_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  0.0000  0.0000  0.5000  1
  Fe  Fe1  4  0.0000  0.1661  0.0000  1
  O  O2  8  0.2174  0.1790  0.7772  1
  O  O3  4  0.2298  0.0000  0.2359  1
]