data_[Rb12Sn6Au21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.9405]
_cell_length_b [6.9405]
_cell_length_c [29.8128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb4Sn2Au7]
_chemical_formula_sum '[Rb12 Sn6 Au21]'
_cell_volume [1243.7050]
_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  6  0.0000  0.0000  0.1876  1.0
  Rb  Rb1  6  0.0000  0.0000  0.3155  1.0
  Sn  Sn2  6  0.0000  0.0000  0.4504  1.0
  Au  Au3  18  0.0616  0.5308  0.7437  1.0
  Au  Au4  3  0.0000  0.0000  0.0000  1.0
]