data_[Te4Pb8Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.8981]
_cell_length_b [8.8866]
_cell_length_c [7.7839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Te(PbCl)2]
_chemical_formula_sum '[Te4 Pb8 Cl8]'
_cell_volume [746.8059]
_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
[
  Te  Te0  4  0.3168  0.6139  0.5358  1.0
  Pb  Pb1  4  0.1514  0.6231  0.8650  1.0
  Pb  Pb2  4  0.4940  0.6483  0.2501  1.0
  Cl  Cl3  4  0.0035  0.6782  0.1443  1.0
  Cl  Cl4  4  0.3556  0.0948  0.5629  1.0
]