data_[Te8Pb4]
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 [Cm]
_cell_length_a [11.1657]
_cell_length_b [4.6336]
_cell_length_c [8.8630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8453]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Te2Pb]
_chemical_formula_sum '[Te8 Pb4]'
_cell_volume [451.7914]
_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  2  0.0652  0.0000  0.3834  1
  Te  Te1  2  0.2055  0.5000  0.0217  1
  Te  Te2  2  0.3200  0.0000  0.3756  1
  Te  Te3  2  0.3823  0.0000  0.6967  1
  Pb  Pb4  2  0.0190  0.0000  0.0253  1
  Pb  Pb5  2  0.1748  0.5000  0.6640  1
]