data_[In2Fe4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1765]
_cell_length_b [9.6935]
_cell_length_c [6.6553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In(FeBr4)2]
_chemical_formula_sum '[In2 Fe4 Br16]'
_cell_volume [845.8188]
_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
[
  In  In0  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe1  4  0.1907  0.0000  0.6341  1.0
  Br  Br2  8  0.0959  0.1868  0.7733  1.0
  Br  Br3  4  0.1398  0.5000  0.2462  1.0
  Br  Br4  4  0.1797  0.0000  0.2726  1.0
]