data_Nb2CdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   140.03
_cell_angle_beta   130.92
_cell_angle_gamma   65.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdPb
_chemical_formula_sum   'Nb2 Cd1 Pb1'
_cell_volume   81.39
_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
  Nb  Nb1  1  0.89  0.0  0.35  1.0
  Nb  Nb2  1  0.0  0.3  0.32  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.67  1.0

data_Nb2CdPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.6
_cell_length_c   5.54
_cell_angle_alpha   114.54
_cell_angle_beta   109.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdPb
_chemical_formula_sum   'Nb2 Cd1 Pb1'
_cell_volume   81.39
_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
  Nb  Nb0  1  0.54  0.65  0.54  1.0
  Nb  Nb1  1  0.68  0.98  0.98  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.33  0.33  0.33  1.0

Nb Nb Cd Pb