data_Cd2NiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   3.23
_cell_angle_alpha   103.96
_cell_angle_beta   103.96
_cell_angle_gamma   125.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2NiPb
_chemical_formula_sum   'Cd2 Ni1 Pb1'
_cell_volume   86.68
_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  0.42  0.21  0.0  1.0
  Cd  Cd1  1  0.42  0.79  0.0  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.84  0.0  0.0  1.0

data_Cd2NiPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.82
_cell_length_c   6.26
_cell_angle_alpha   111.95
_cell_angle_beta   103.96
_cell_angle_gamma   92.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2NiPb
_chemical_formula_sum   'Cd2 Ni1 Pb1'
_cell_volume   86.68
_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  0.21  0.21  0.63  1.0
  Cd  Cd1  1  0.79  0.79  0.21  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.84  1.0

Cd Cd Ni Pb