data_[Hf12Te4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9912]
_cell_length_b [5.8944]
_cell_length_c [10.3306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf3TePb]
_chemical_formula_sum '[Hf12 Te4 Pb4]'
_cell_volume [466.7237]
_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
[
  Hf  Hf0  4  0.0306  0.1290  0.7878  1
  Hf  Hf1  4  0.1754  0.6324  0.0142  1
  Hf  Hf2  4  0.4084  0.1784  0.3987  1
  Te  Te3  4  0.3480  0.6738  0.3104  1
  Pb  Pb4  4  0.2019  0.1446  0.0904  1
]