data_[Te16Pb8S32]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [8.8211]
_cell_length_b [13.9827]
_cell_length_c [12.8807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Te2PbS4]
_chemical_formula_sum '[Te16 Pb8 S32]'
_cell_volume [1588.7467]
_cell_formula_units_Z [8]
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  16  0.1144  0.1234  0.8936  1
  Pb  Pb1  8  0.0000  0.0000  0.2637  1
  S  S2  16  0.0298  0.1420  0.0724  1
  S  S3  16  0.1171  0.3524  0.9036  1
]