data_CdNi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.73
_cell_angle_alpha   114.34
_cell_angle_beta   114.34
_cell_angle_gamma   50.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi2Pb
_chemical_formula_sum   'Cd1 Ni2 Pb1'
_cell_volume   67.04
_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  0.0  1.0
  Ni  Ni1  1  0.67  0.0  0.99  1.0
  Ni  Ni2  1  0.4  0.0  0.22  1.0
  Pb  Pb3  1  0.03  0.0  0.11  1.0

data_CdNi2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.55
_cell_length_c   4.73
_cell_angle_alpha   114.34
_cell_angle_beta   90.0
_cell_angle_gamma   115.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi2Pb
_chemical_formula_sum   'Cd1 Ni2 Pb1'
_cell_volume   67.04
_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  0.0  1.0
  Ni  Ni1  1  0.0  0.33  0.01  1.0
  Ni  Ni2  1  0.0  0.6  0.78  1.0
  Pb  Pb3  1  0.0  0.97  0.89  1.0

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