data_[Rb12Au6I4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.3238]
_cell_length_b [5.1092]
_cell_length_c [10.2690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb6Au3I2Br]
_chemical_formula_sum '[Rb12 Au6 I4 Br2]'
_cell_volume [1139.2997]
_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  0.0031  0.0000  0.7580  1.0
  Rb  Rb1  4  0.1639  0.5000  0.5890  1.0
  Rb  Rb2  4  0.1640  0.5000  0.0730  1.0
  Au  Au3  4  0.1675  0.0000  0.8342  1.0
  Au  Au4  2  0.0000  0.5000  0.5000  1.0
  I  I5  4  0.1658  0.0000  0.3308  1.0
  Br  Br6  2  0.0000  0.5000  0.0000  1.0
]