data_[Cs4Si4Au4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4463]
_cell_length_b [7.4632]
_cell_length_c [8.2203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsSiAuS3]
_chemical_formula_sum '[Cs4 Si4 Au4 S12]'
_cell_volume [777.6978]
_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  0.1568  0.5000  0.2157  1.0
  Si  Si1  4  0.0528  0.0000  0.8746  1.0
  Au  Au2  4  0.0000  0.2311  0.5000  1.0
  S  S3  8  0.1017  0.2428  0.7908  1.0
  S  S4  4  0.1147  0.0000  0.1566  1.0
]