data_[Sb4Au2S4]
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/m]
_cell_length_a [5.8691]
_cell_length_b [3.9616]
_cell_length_c [12.2524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sb2AuS2]
_chemical_formula_sum '[Sb4 Au2 S4]'
_cell_volume [283.7349]
_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
[
  Sb  Sb0  2  0.0645  0.7500  0.2219  1.0
  Sb  Sb1  2  0.3654  0.7500  0.6140  1.0
  Au  Au2  2  0.0225  0.2500  0.0765  1.0
  S  S3  2  0.2521  0.2500  0.4550  1.0
  S  S4  2  0.4910  0.7500  0.2384  1.0
]