data_[Tl2Pb2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0720]
_cell_length_b [4.7324]
_cell_length_c [11.5585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3021]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlPbI3]
_chemical_formula_sum '[Tl2 Pb2 I6]'
_cell_volume [486.6024]
_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  0.2132  0.2500  0.4574  1.0
  Pb  Pb1  2  0.3592  0.2500  0.8411  1.0
  I  I2  2  0.0212  0.2500  0.6909  1.0
  I  I3  2  0.2871  0.7500  0.0167  1.0
  I  I4  2  0.4423  0.7500  0.6649  1.0
]