data_[Al8Au2S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [14.6454]
_cell_length_b [6.6637]
_cell_length_c [6.1810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Al4AuS7]
_chemical_formula_sum '[Al8 Au2 S14]'
_cell_volume [603.2178]
_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
[
  Al  Al0  4  0.1276  0.6704  0.5711  1
  Al  Al1  4  0.2470  0.8291  0.0471  1
  Au  Au2  2  0.0000  0.1477  0.4614  1
  S  S3  4  0.1240  0.6699  0.9298  1
  S  S4  4  0.1340  0.3559  0.4211  1
  S  S5  4  0.2493  0.8459  0.4224  1
  S  S6  2  0.0000  0.7933  0.4104  1
]