data_[Tl4Sb4Pb8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.2262]
_cell_length_b [12.5435]
_cell_length_c [8.4600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.7892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TlSb(PbS2)2]
_chemical_formula_sum '[Tl4 Sb4 Pb8 S16]'
_cell_volume [936.5893]
_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  0.0051  0.0079  0.2482  1.0
  Sb  Sb1  4  0.2475  0.2718  0.2100  1.0
  Pb  Pb2  4  0.0036  0.5002  0.7460  1.0
  Pb  Pb3  4  0.2468  0.2660  0.7533  1.0
  S  S4  4  0.0328  0.2621  0.7914  1.0
  S  S5  4  0.0408  0.7480  0.7816  1.0
  S  S6  4  0.2300  0.4783  0.7315  1.0
  S  S7  4  0.2425  0.4658  0.2359  1.0
]