data_[Sn2P2Au2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7663]
_cell_length_b [6.8884]
_cell_length_c [8.5298]
_cell_angle_alpha [108.2269]
_cell_angle_beta [95.8743]
_cell_angle_gamma [116.6818]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SnPAuS3]
_chemical_formula_sum '[Sn2 P2 Au2 S6]'
_cell_volume [323.3010]
_cell_formula_units_Z [2]
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
[
  Sn  Sn0  2  0.3959  0.1035  0.8130  1.0
  P  P1  2  0.4864  0.6178  0.6836  1.0
  Au  Au2  2  0.0268  0.1965  0.9427  1.0
  S  S3  2  0.2795  0.4721  0.2197  1.0
  S  S4  2  0.2934  0.0307  0.3069  1.0
  S  S5  2  0.3157  0.6774  0.8741  1.0
]