data_[Fe2Ir4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2404]
_cell_length_b [8.8945]
_cell_length_c [6.2155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe(IrBr4)2]
_chemical_formula_sum '[Fe2 Ir4 Br16]'
_cell_volume [715.2655]
_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
[
  Fe  Fe0  2  0.0000  0.0000  0.0000  1
  Ir  Ir1  4  0.2091  0.0000  0.6931  1
  Br  Br2  8  0.0903  0.1854  0.7846  1
  Br  Br3  4  0.1092  0.5000  0.2828  1
  Br  Br4  4  0.1740  0.0000  0.2946  1
]