data_[In12Fe4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.5746]
_cell_length_b [10.8288]
_cell_length_c [5.2936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [In3FeO6]
_chemical_formula_sum '[In12 Fe4 O24]'
_cell_volume [491.5260]
_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
[
  In  In0  8  0.1939  0.3923  0.0373  1
  In  In1  4  0.0000  0.1030  0.9834  1
  Fe  Fe2  4  0.0000  0.3113  0.5719  1
  O  O3  8  0.1597  0.2308  0.7576  1
  O  O4  8  0.1630  0.0237  0.2537  1
  O  O5  4  0.0000  0.2884  0.2178  1
  O  O6  4  0.0000  0.4574  0.7735  1
]