data_[Rb8Tl20Au12]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.1735]
_cell_length_b [15.8489]
_cell_length_c [7.4970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Rb2Tl5Au3]
_chemical_formula_sum '[Rb8 Tl20 Au12]'
_cell_volume [1327.6134]
_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  8  0.2345  0.1163  0.5000  1.0
  Tl  Tl1  8  0.0000  0.2714  0.2500  1.0
  Tl  Tl2  8  0.1126  0.1203  0.0000  1.0
  Tl  Tl3  4  0.0000  0.5000  0.2500  1.0
  Au  Au4  8  0.1295  0.3838  0.5000  1.0
  Au  Au5  4  0.0000  0.0000  0.2500  1.0
]