data_[Cs3Bi36Au21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [16.1639]
_cell_length_b [16.1639]
_cell_length_c [7.8275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CsBi12Au7]
_chemical_formula_sum '[Cs3 Bi36 Au21]'
_cell_volume [1771.1044]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.0000  1
  Bi  Bi1  18  0.0525  0.7805  0.9800  1
  Bi  Bi2  18  0.0741  0.2129  0.3503  1
  Au  Au3  18  0.0623  0.1919  0.7338  1
  Au  Au4  3  0.0000  0.0000  0.5000  1
]