data_CdNi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   145.13
_cell_angle_beta   133.84
_cell_angle_gamma   59.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi2Pb
_chemical_formula_sum   'Cd1 Ni2 Pb1'
_cell_volume   68.1
_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  0.26  1.0
  Ni  Ni1  1  0.65  0.0  0.29  1.0
  Ni  Ni2  1  0.0  0.0  0.2  1.0
  Pb  Pb3  1  0.65  0.0  0.6  1.0

data_CdNi2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.31
_cell_length_c   5.5
_cell_angle_alpha   113.08
_cell_angle_beta   107.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi2Pb
_chemical_formula_sum   'Cd1 Ni2 Pb1'
_cell_volume   68.1
_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  0.74  0.74  0.74  1.0
  Ni  Ni1  1  0.36  0.71  0.36  1.0
  Ni  Ni2  1  0.8  0.8  0.8  1.0
  Pb  Pb3  1  0.05  0.4  0.05  1.0

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