data_[Rb3Bi36Au21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [16.0848]
_cell_length_b [16.0848]
_cell_length_c [7.8331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [RbBi12Au7]
_chemical_formula_sum '[Rb3 Bi36 Au21]'
_cell_volume [1755.0857]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Bi  Bi1  18  0.0537  0.2716  0.9811  1
  Bi  Bi2  18  0.0727  0.8599  0.3513  1
  Au  Au3  18  0.0602  0.8712  0.7374  1
  Au  Au4  3  0.0000  0.0000  0.5000  1
]