data_[Rb2Al1Au1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.3172]
_cell_length_b [7.6502]
_cell_length_c [9.2140]
_cell_angle_alpha [67.5184]
_cell_angle_beta [83.0201]
_cell_angle_gamma [65.7253]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Rb2AlAuBr6]
_chemical_formula_sum '[Rb2 Al1 Au1 Br6]'
_cell_volume [434.0572]
_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  1  0.3230  0.1829  0.4234  1.0
  Rb  Rb1  1  0.7287  0.1555  0.8475  1.0
  Al  Al2  1  0.1286  0.4787  0.8026  1.0
  Au  Au3  1  0.7589  0.5421  0.3501  1.0
  Br  Br4  1  0.2271  0.1257  0.8547  1.0
  Br  Br5  1  0.2689  0.6031  0.5650  1.0
  Br  Br6  1  0.2720  0.5156  0.9959  1.0
  Br  Br7  1  0.6925  0.9052  0.2364  1.0
  Br  Br8  1  0.7815  0.6383  0.7981  1.0
  Br  Br9  1  0.8340  0.1761  0.4646  1.0
]