data_[Au4S4Cl12]
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 [P2/c]
_cell_length_a [6.8948]
_cell_length_b [6.7548]
_cell_length_c [14.6576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [AuSCl3]
_chemical_formula_sum '[Au4 S4 Cl12]'
_cell_volume [680.0088]
_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
[
  Au  Au0  4  0.0825  0.4582  0.3821  1.0
  S  S1  4  0.0291  0.2288  0.8158  1.0
  Cl  Cl2  4  0.1893  0.1883  0.4702  1.0
  Cl  Cl3  4  0.2062  0.3044  0.1670  1.0
  Cl  Cl4  4  0.3567  0.3392  0.9127  1.0
]