data_[Ag3Au1S2]
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 [P1]
_cell_length_a [4.7372]
_cell_length_b [4.8721]
_cell_length_c [5.8450]
_cell_angle_alpha [88.5324]
_cell_angle_beta [84.9939]
_cell_angle_gamma [80.9596]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ag3AuS2]
_chemical_formula_sum '[Ag3 Au1 S2]'
_cell_volume [132.7085]
_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
[
  Ag  Ag0  1  0.0117  0.2839  0.6025  1.0
  Ag  Ag1  1  0.4376  0.9851  0.2685  1.0
  Ag  Ag2  1  0.8164  0.5445  0.0435  1.0
  Au  Au3  1  0.3021  0.7340  0.7406  1.0
  S  S4  1  0.0153  0.0112  0.0236  1.0
  S  S5  1  0.5419  0.4412  0.4463  1.0
]