data_[Cs4Bi8Au12]
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 [C2/m]
_cell_length_a [22.5423]
_cell_length_b [4.7603]
_cell_length_c [7.7052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2378]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsBi2Au3]
_chemical_formula_sum '[Cs4 Bi8 Au12]'
_cell_volume [785.2912]
_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
[
  Cs  Cs0  4  0.1330  0.0000  0.1006  1.0
  Bi  Bi1  4  0.0038  0.5000  0.7581  1.0
  Bi  Bi2  4  0.1905  0.0000  0.6926  1.0
  Au  Au3  4  0.0534  0.0000  0.4293  1.0
  Au  Au4  4  0.1066  0.5000  0.6214  1.0
  Au  Au5  4  0.2190  0.5000  0.5206  1.0
]