data_[Rb2Ba1Ir1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1952]
_cell_length_b [9.4855]
_cell_length_c [8.5041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8706]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Rb2BaIrBr8]
_chemical_formula_sum '[Rb2 Ba1 Ir1 Br8]'
_cell_volume [469.9900]
_cell_formula_units_Z [1]
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
[
  Rb  Rb0  2  0.5000  0.2403  0.5000  1.0
  Ba  Ba1  1  0.0000  0.5000  0.0000  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.0649  0.1912  0.8130  1.0
  Br  Br4  2  0.4112  0.0000  0.1689  1.0
  Br  Br5  2  0.4677  0.5000  0.7572  1.0
]