data_[Rb6Pb4Au8]
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 [C2/m]
_cell_length_a [12.8935]
_cell_length_b [5.2574]
_cell_length_c [9.6316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9030]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3(PbAu2)2]
_chemical_formula_sum '[Rb6 Pb4 Au8]'
_cell_volume [624.6820]
_cell_formula_units_Z [2]
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  0.1278  0.5000  0.3838  1.0
  Rb  Rb1  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  4  0.1742  0.5000  0.7881  1.0
  Au  Au3  4  0.0809  0.0000  0.6301  1.0
  Au  Au4  4  0.2497  0.5000  0.0953  1.0
]