data_[Cs2Au4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [17.2931]
_cell_length_b [7.7313]
_cell_length_c [4.9379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs(AuS4)2]
_chemical_formula_sum '[Cs2 Au4 S16]'
_cell_volume [641.0498]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Au  Au1  4  0.1718  0.5000  0.5705  1
  S  S2  8  0.1451  0.1976  0.6399  1
  S  S3  4  0.0396  0.5000  0.6894  1
  S  S4  4  0.2305  0.0000  0.7081  1
]