data_[Sn2Hg4Pb2S8]
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 [Pmn2_1]
_cell_length_a [8.3515]
_cell_length_b [9.0544]
_cell_length_c [6.4635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [SnHg2PbS4]
_chemical_formula_sum '[Sn2 Hg4 Pb2 S8]'
_cell_volume [488.7535]
_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
[
  Sn  Sn0  2  0.0000  0.8098  0.0287  1.0
  Hg  Hg1  4  0.2489  0.3484  0.0118  1.0
  Pb  Pb2  2  0.0000  0.1759  0.5243  1.0
  S  S3  4  0.2448  0.6311  0.0982  1.0
  S  S4  2  0.0000  0.1980  0.1020  1.0
  S  S5  2  0.0000  0.7965  0.6251  1.0
]