data_[Rb4Tl2Ir2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.7051]
_cell_length_b [11.2849]
_cell_length_c [8.4004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Rb2TlIrBr6]
_chemical_formula_sum '[Rb4 Tl2 Ir2 Br12]'
_cell_volume [730.4173]
_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
[
  Rb  Rb0  4  0.0000  0.2727  0.2104  1.0
  Tl  Tl1  2  0.0000  0.5000  0.7090  1.0
  Ir  Ir2  2  0.0000  0.0000  0.7825  1.0
  Br  Br3  4  0.0000  0.2234  0.7845  1.0
  Br  Br4  4  0.2298  0.0000  0.9967  1.0
  Br  Br5  4  0.2326  0.0000  0.5711  1.0
]