data_[Tl2P2Pb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7486]
_cell_length_b [6.6500]
_cell_length_c [8.8073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0674]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlPPbS4]
_chemical_formula_sum '[Tl2 P2 Pb2 S8]'
_cell_volume [377.8511]
_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  2  0.2628  0.7500  0.0674  1.0
  P  P1  2  0.2032  0.2500  0.3060  1.0
  Pb  Pb2  2  0.2468  0.7500  0.5480  1.0
  S  S3  4  0.0098  0.0036  0.2592  1.0
  S  S4  2  0.3680  0.2500  0.5443  1.0
  S  S5  2  0.3961  0.2500  0.1649  1.0
]