data_[Cs8Bi8Au4]
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 [Cmcm]
_cell_length_a [7.8933]
_cell_length_b [15.8214]
_cell_length_c [7.0533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cs2Bi2Au]
_chemical_formula_sum '[Cs8 Bi8 Au4]'
_cell_volume [880.8423]
_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  0.0000  0.2011  0.2500  1.0
  Cs  Cs1  4  0.0000  0.3973  0.7500  1.0
  Bi  Bi2  8  0.2032  0.1016  0.7500  1.0
  Au  Au3  4  0.0000  0.0000  0.0000  1.0
]