data_[Cs2Rb4Ir2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.5866]
_cell_length_b [11.5904]
_cell_length_c [9.5213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [CsRb2IrBr6]
_chemical_formula_sum '[Cs2 Rb4 Ir2 Br12]'
_cell_volume [837.2167]
_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  0.5000  0.6709  1.0
  Rb  Rb1  4  0.0000  0.2964  0.1669  1.0
  Ir  Ir2  2  0.0000  0.0000  0.8190  1.0
  Br  Br3  4  0.0000  0.2176  0.8165  1.0
  Br  Br4  4  0.2299  0.0000  0.0119  1.0
  Br  Br5  4  0.2363  0.0000  0.6329  1.0
]