data_[Cs2Ir2Au2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.4136]
_cell_length_b [11.5650]
_cell_length_c [8.0315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsIrAuBr6]
_chemical_formula_sum '[Cs2 Ir2 Au2 Br12]'
_cell_volume [687.1744]
_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
[
  Cs  Cs0  2  0.0000  0.0293  0.5000  1.0
  Ir  Ir1  2  0.0000  0.6664  0.0000  1.0
  Au  Au2  2  0.0000  0.3289  0.0000  1.0
  Br  Br3  4  0.1197  0.5060  0.1898  1.0
  Br  Br4  4  0.1307  0.8128  0.2016  1.0
  Br  Br5  4  0.2123  0.1679  0.1434  1.0
]