data_[Tl2Te2Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6764]
_cell_length_b [4.5780]
_cell_length_c [10.3815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlTePbSe3]
_chemical_formula_sum '[Tl2 Te2 Pb2 Se6]'
_cell_volume [411.9511]
_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  0.1763  0.2500  0.7569  1
  Te  Te1  2  0.1451  0.2500  0.3793  1
  Pb  Pb2  2  0.3688  0.7500  0.1198  1
  Se  Se3  2  0.1078  0.2500  0.1325  1
  Se  Se4  2  0.2949  0.7500  0.4257  1
  Se  Se5  2  0.3979  0.7500  0.8415  1
]