data_[Rb4Au4Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9664]
_cell_length_b [7.4810]
_cell_length_c [8.5006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7370]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbAuBr3]
_chemical_formula_sum '[Rb4 Au4 Br12]'
_cell_volume [729.8275]
_cell_formula_units_Z [4]
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  0.2258  0.5000  0.2295  1.0
  Au  Au1  2  0.0000  0.0000  0.0000  1.0
  Au  Au2  2  0.0000  0.5000  0.5000  1.0
  Br  Br3  8  0.0369  0.2358  0.8226  1.0
  Br  Br4  4  0.2133  0.5000  0.6349  1.0
]