data_[As4Pb8Au4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.7112]
_cell_length_b [8.0229]
_cell_length_c [11.7623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [AsPb2AuS4]
_chemical_formula_sum '[As4 Pb8 Au4 S16]'
_cell_volume [727.6873]
_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
[
  As  As0  4  0.2500  0.2500  0.7500  1
  Pb  Pb1  4  0.0000  0.0000  0.0000  1
  Pb  Pb2  4  0.2500  0.2500  0.2500  1
  Au  Au3  4  0.0000  0.0000  0.5000  1
  S  S4  8  0.0000  0.0300  0.7535  1
  S  S5  8  0.2199  0.2500  0.5132  1
]