data_[Au2S1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4742]
_cell_length_b [6.7311]
_cell_length_c [9.5734]
_cell_angle_alpha [79.1507]
_cell_angle_beta [76.0510]
_cell_angle_gamma [66.1872]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Au2SCl8]
_chemical_formula_sum '[Au2 S1 Cl8]'
_cell_volume [368.4735]
_cell_formula_units_Z [1]
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
[
  Au  Au0  2  0.4817  0.0763  0.3129  1
  S  S1  1  0.0000  0.0000  0.0000  1
  Cl  Cl2  2  0.0329  0.2878  0.8457  1
  Cl  Cl3  2  0.2553  0.0507  0.1654  1
  Cl  Cl4  2  0.3087  0.8943  0.5118  1
  Cl  Cl5  2  0.3439  0.7360  0.8777  1
]