data_CdNi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   38.69
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi2Pb
_chemical_formula_sum   'Cd1 Ni2 Pb1'
_cell_volume   70.02
_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  0.98  1.0
  Ni  Ni1  1  0.06  0.0  0.74  1.0
  Ni  Ni2  1  0.0  0.0  0.16  1.0
  Pb  Pb3  1  0.06  0.0  0.87  1.0

data_CdNi2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.11
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   109.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi2Pb
_chemical_formula_sum   'Cd1 Ni2 Pb1'
_cell_volume   70.02
_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  0.02  0.0  0.02  1.0
  Ni  Ni1  1  0.26  0.06  0.26  1.0
  Ni  Ni2  1  0.84  0.0  0.84  1.0
  Pb  Pb3  1  0.13  0.06  0.13  1.0

Cd Ni Ni Pb