data_[Sb4Au4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.5607]
_cell_length_b [6.2450]
_cell_length_c [12.1391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SbAuS3]
_chemical_formula_sum '[Sb4 Au4 S12]'
_cell_volume [574.5059]
_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
[
  Sb  Sb0  4  0.2622  0.7173  0.2571  1
  Au  Au1  4  0.0897  0.2255  0.0996  1
  S  S2  4  0.0248  0.0224  0.3392  1
  S  S3  4  0.1991  0.5960  0.5484  1
  S  S4  4  0.3721  0.1403  0.7380  1
]