data_[Tl8Si4Pb4S16]
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 [P2_1/c]
_cell_length_a [10.6704]
_cell_length_b [9.1552]
_cell_length_c [9.0067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5147]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2SiPbS4]
_chemical_formula_sum '[Tl8 Si4 Pb4 S16]'
_cell_volume [877.1379]
_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
[
  Tl  Tl0  4  0.0600  0.1954  0.0645  1
  Tl  Tl1  4  0.2254  0.6082  0.9096  1
  Si  Si2  4  0.2645  0.0299  0.7926  1
  Pb  Pb3  4  0.4492  0.1939  0.1017  1
  S  S4  4  0.0892  0.5305  0.1836  1
  S  S5  4  0.2699  0.2343  0.3176  1
  S  S6  4  0.2969  0.5581  0.5126  1
  S  S7  4  0.4174  0.5283  0.1631  1
]