data_[K2Rb4Ir2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [7.6506]
_cell_length_b [11.2865]
_cell_length_c [8.5622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [KRb2IrBr6]
_chemical_formula_sum '[K2 Rb4 Ir2 Br12]'
_cell_volume [739.3396]
_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  0.2790  0.2003  1.0
  K  K1  2  0.0000  0.5000  0.7019  1.0
  Ir  Ir2  2  0.0000  0.0000  0.7901  1.0
  Br  Br3  4  0.0000  0.2232  0.7909  1.0
  Br  Br4  4  0.2304  0.0000  0.0014  1.0
  Br  Br5  4  0.2340  0.0000  0.5835  1.0
]