data_[Cd3Tc3Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Tc  1.9000  1.3500  0.7417
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.2253]
_cell_length_b [3.2253]
_cell_length_c [32.2356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CdTcPb2]
_chemical_formula_sum '[Cd3 Tc3 Pb6]'
_cell_volume [290.4071]
_cell_formula_units_Z [3]
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
[
  Cd  Cd0  3  0.0000  0.0000  0.7624  1
  Tc  Tc1  3  0.0000  0.0000  0.4972  1
  Pb  Pb2  3  0.0000  0.0000  0.0080  1
  Pb  Pb3  3  0.0000  0.0000  0.2324  1
]