data_[Au4S8]
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
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.9174]
_cell_length_b [4.4170]
_cell_length_c [9.0118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [AuS2]
_chemical_formula_sum '[Au4 S8]'
_cell_volume [282.9607]
_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  2  0.0000  0.3275  0.7500  1.0
  Au  Au1  2  0.5000  0.0000  0.0000  1.0
  S  S2  4  0.2311  0.0551  0.5513  1.0
  S  S3  4  0.3027  0.3141  0.7632  1.0
]