data_[Si2Au2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P-1]
_cell_length_a [3.2924]
_cell_length_b [5.2452]
_cell_length_c [8.4522]
_cell_angle_alpha [90.5481]
_cell_angle_beta [100.9817]
_cell_angle_gamma [108.1066]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SiAuS]
_chemical_formula_sum '[Si2 Au2 S2]'
_cell_volume [135.8248]
_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
[
  Si  Si0  2  0.4526  0.1168  0.8182  1
  Au  Au1  2  0.2923  0.6639  0.9071  1
  S  S2  2  0.0460  0.7357  0.3303  1
]