data_CdHgPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   144.23
_cell_angle_beta   130.28
_cell_angle_gamma   62.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgPb2
_chemical_formula_sum   'Cd1 Hg1 Pb2'
_cell_volume   112.44
_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  1  0.0  0.0  0.55  1.0
  Hg  Hg1  1  0.0  0.67  0.55  1.0
  Pb  Pb2  1  0.0  0.0  0.73  1.0
  Pb  Pb3  1  0.95  0.0  0.82  1.0

data_CdHgPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   5.33
_cell_length_c   6.34
_cell_angle_alpha   114.86
_cell_angle_beta   107.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgPb2
_chemical_formula_sum   'Cd1 Hg1 Pb2'
_cell_volume   112.44
_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  1  0.45  0.45  0.45  1.0
  Hg  Hg1  1  0.45  0.11  0.11  1.0
  Pb  Pb2  1  0.13  0.18  0.13  1.0
  Pb  Pb3  1  0.27  0.27  0.27  1.0

Cd Hg Pb Pb
Cd Hg Pb Pb 0 2 o o o 1 2 o + o 1 3 - + o 2 3 - o o 