data_[Fe4Te6Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.3889]
_cell_length_b [7.3889]
_cell_length_c [5.8753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Fe2Te3Pb]
_chemical_formula_sum '[Fe4 Te6 Pb2]'
_cell_volume [277.7908]
_cell_formula_units_Z [2]
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
[
  Fe  Fe0  3  0.0000  0.5000  0.0000  1
  Fe  Fe1  1  0.0000  0.0000  0.0000  1
  Te  Te2  6  0.1689  0.3377  0.2386  1
  Pb  Pb3  2  0.3333  0.6667  0.7078  1
]