data_[Cd5Hg3Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9332]
_cell_length_b [6.3226]
_cell_length_c [8.7732]
_cell_angle_alpha [79.4986]
_cell_angle_beta [84.7561]
_cell_angle_gamma [85.0659]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd5Hg3Pb4]
_chemical_formula_sum '[Cd5 Hg3 Pb4]'
_cell_volume [321.4344]
_cell_formula_units_Z [1]
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  2  0.2293  0.8381  0.2299  1
  Cd  Cd1  2  0.4724  0.2394  0.4780  1
  Cd  Cd2  1  0.0000  0.5000  0.5000  1
  Hg  Hg3  2  0.3036  0.4270  0.7708  1
  Hg  Hg4  1  0.0000  0.0000  0.5000  1
  Pb  Pb5  2  0.2120  0.3704  0.1348  1
  Pb  Pb6  2  0.2665  0.9108  0.8689  1
]