data_[Cs4Bi16Au4]
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 [13.8900]
_cell_length_b [7.4844]
_cell_length_c [8.8265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4355]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsBi4Au]
_chemical_formula_sum '[Cs4 Bi16 Au4]'
_cell_volume [892.4684]
_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  0.2173  0.0000  0.8198  1.0
  Bi  Bi1  8  0.0729  0.2209  0.3770  1.0
  Bi  Bi2  4  0.0000  0.2543  0.0000  1.0
  Bi  Bi3  4  0.2074  0.5000  0.6021  1.0
  Au  Au4  4  0.0888  0.5000  0.8200  1.0
]