data_[Sn4Hg4Pb8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9577]
_cell_length_b [19.0925]
_cell_length_c [12.4610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SnHgPb2S5]
_chemical_formula_sum '[Sn4 Hg4 Pb8 S20]'
_cell_volume [941.5791]
_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
[
  Sn  Sn0  4  0.0000  0.4558  0.4315  1.0
  Hg  Hg1  4  0.0000  0.2106  0.0225  1.0
  Pb  Pb2  4  0.0000  0.1333  0.3182  1.0
  Pb  Pb3  4  0.0000  0.1444  0.6698  1.0
  S  S4  4  0.0000  0.0238  0.0480  1.0
  S  S5  4  0.0000  0.2914  0.6762  1.0
  S  S6  4  0.0000  0.3328  0.3797  1.0
  S  S7  4  0.0000  0.3477  0.0079  1.0
  S  S8  4  0.0000  0.4771  0.7702  1.0
]