data_[Ag8Au4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6714]
_cell_length_b [4.8976]
_cell_length_c [7.4854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag2AuS2]
_chemical_formula_sum '[Ag8 Au4 S8]'
_cell_volume [465.7708]
_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
[
  Ag  Ag0  4  0.0727  0.0000  0.8766  1.0
  Ag  Ag1  4  0.1696  0.5000  0.5929  1.0
  Au  Au2  4  0.1747  0.5000  0.0969  1.0
  S  S3  4  0.0518  0.5000  0.7807  1.0
  S  S4  4  0.2058  0.0000  0.5853  1.0
]