data_[Sb1Au1S4]
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/m]
_cell_length_a [6.9168]
_cell_length_b [3.5530]
_cell_length_c [7.0953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6772]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SbAuS4]
_chemical_formula_sum '[Sb1 Au1 S4]'
_cell_volume [166.1372]
_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
[
  Sb  Sb0  1  0.0000  0.0000  0.0000  1.0
  Au  Au1  1  0.0000  0.5000  0.5000  1.0
  S  S2  2  0.1675  0.0000  0.7121  1.0
  S  S3  2  0.2556  0.5000  0.1508  1.0
]