data_[Si8Au4Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.3045]
_cell_length_b [3.7490]
_cell_length_c [13.4723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Si2AuCl]
_chemical_formula_sum '[Si8 Au4 Cl4]'
_cell_volume [367.0743]
_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
[
  Si  Si0  2  0.0078  0.5000  0.6030  1
  Si  Si1  2  0.0765  0.5000  0.3222  1
  Si  Si2  2  0.0965  0.0000  0.4357  1
  Si  Si3  2  0.4259  0.5000  0.1549  1
  Au  Au4  2  0.2581  0.0000  0.2293  1
  Au  Au5  2  0.3125  0.5000  0.5286  1
  Cl  Cl6  2  0.0255  0.5000  0.7571  1
  Cl  Cl7  2  0.3860  0.5000  0.0008  1
]