data_NbCuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   3.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCuPb
_chemical_formula_sum   'Nb1 Cu1 Pb1'
_cell_volume   55.79
_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  0.0  0.58  0.91  1.0
  Cu  Cu0  1  0.0  0.0  0.15  1.0
  Pb  Pb2  1  0.23  0.29  0.41  1.0

data_NbCuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCuPb
_chemical_formula_sum   'Nb1 Cu1 Pb1'
_cell_volume   55.79
_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  0.91  0.0  0.58  1.0
  Cu  Cu1  1  0.15  0.0  0.0  1.0
  Pb  Pb2  1  0.41  0.23  0.29  1.0

Nb Cu Pb