data_[Tl4Si2Pb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Si  1.9000  1.1000  0.5400
  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 [8.4815]
_cell_length_b [9.3518]
_cell_length_c [6.1077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tl2SiPbS4]
_chemical_formula_sum '[Tl4 Si2 Pb2 S8]'
_cell_volume [484.4504]
_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
[
  Tl  Tl0  4  0.2063  0.3471  0.0686  1.0
  Si  Si1  2  0.0000  0.8203  0.9752  1.0
  Pb  Pb2  2  0.0000  0.0989  0.5576  1.0
  S  S3  4  0.2105  0.7133  0.0798  1.0
  S  S4  2  0.0000  0.0451  0.0493  1.0
  S  S5  2  0.0000  0.8045  0.6212  1.0
]