data_[Cs8Bi1Au2S1]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [6.2358]
_cell_length_b [8.8206]
_cell_length_c [12.2608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Cs8BiAu2S]
_chemical_formula_sum '[Cs8 Bi1 Au2 S1]'
_cell_volume [674.3900]
_cell_formula_units_Z [1]
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  0.0000  0.2400  0.2349  1.0
  Cs  Cs1  2  0.5000  0.2244  0.0000  1.0
  Cs  Cs2  2  0.5000  0.2548  0.5000  1.0
  Bi  Bi3  1  0.0000  0.0000  0.5000  1.0
  Au  Au4  2  0.5000  0.5000  0.2303  1.0
  S  S5  1  0.0000  0.0000  0.0000  1.0
]