data_[Hg4As4Au4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [7.0240]
_cell_length_b [12.0215]
_cell_length_c [8.0551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2535]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [HgAsAuS3]
_chemical_formula_sum '[Hg4 As4 Au4 S12]'
_cell_volume [633.9066]
_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
[
  Hg  Hg0  4  0.4877  0.1398  0.2642  1.0
  As  As1  4  0.4349  0.1504  0.6810  1.0
  Au  Au2  4  0.0745  0.0041  0.2695  1.0
  S  S3  4  0.0919  0.1024  0.5295  1.0
  S  S4  4  0.0921  0.4980  0.1061  1.0
  S  S5  4  0.4783  0.2737  0.4821  1.0
]