data_[Te6Pb6]
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
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [18.9570]
_cell_length_b [6.0116]
_cell_length_c [16.3309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [TePb]
_chemical_formula_sum '[Te6 Pb6]'
_cell_volume [1861.1129]
_cell_formula_units_Z [6]
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  0.1607  0.0000  0.4753  1
  Te  Te1  2  0.0000  0.5000  0.5000  1
  Pb  Pb2  4  0.1573  0.5000  0.5407  1
  Pb  Pb3  2  0.0000  0.0000  0.5000  1
]