data_[Cs2Tl2Pb2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  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 [9.9691]
_cell_length_b [4.2938]
_cell_length_c [10.7657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5382]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTlPbS3]
_chemical_formula_sum '[Cs2 Tl2 Pb2 S6]'
_cell_volume [453.0567]
_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
[
  Cs  Cs0  2  0.1684  0.7500  0.1818  1
  Tl  Tl1  2  0.1042  0.7500  0.6219  1
  Pb  Pb2  2  0.3862  0.2500  0.8673  1
  S  S3  2  0.1401  0.7500  0.8505  1
  S  S4  2  0.1617  0.2500  0.4941  1
  S  S5  2  0.4174  0.2500  0.1192  1
]