data_[Rb8Pb20Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.9972]
_cell_length_b [14.7083]
_cell_length_c [7.2538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Rb2Pb5Au3]
_chemical_formula_sum '[Rb8 Pb20 Au12]'
_cell_volume [1279.9997]
_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  0.2498  0.3681  0.0000  1.0
  Pb  Pb1  8  0.0000  0.2510  0.2500  1.0
  Pb  Pb2  8  0.1380  0.1064  0.0000  1.0
  Pb  Pb3  4  0.0000  0.5000  0.2500  1.0
  Au  Au4  8  0.1230  0.3743  0.5000  1.0
  Au  Au5  4  0.0000  0.0000  0.2500  1.0
]