data_[Rb12Pb8Au12]
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 [Cmcm]
_cell_length_a [4.5759]
_cell_length_b [13.0783]
_cell_length_c [19.3322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Rb3Pb2Au3]
_chemical_formula_sum '[Rb12 Pb8 Au12]'
_cell_volume [1156.9436]
_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  0.0000  0.3742  0.5453  1
  Rb  Rb1  4  0.0000  0.4341  0.7500  1
  Pb  Pb2  8  0.0000  0.3065  0.1547  1
  Au  Au3  8  0.0000  0.0764  0.6069  1
  Au  Au4  4  0.0000  0.1626  0.7500  1
]