data_[Cd3Re6Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Re  1.9000  1.3500  0.7125
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.9632]
_cell_length_b [2.9632]
_cell_length_c [31.1467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CdRe2Pb]
_chemical_formula_sum '[Cd3 Re6 Pb3]'
_cell_volume [236.8509]
_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  0.4880  1
  Re  Re1  3  0.0000  0.0000  0.0111  1
  Re  Re2  3  0.0000  0.0000  0.7414  1
  Pb  Pb3  3  0.0000  0.0000  0.2595  1
]