data_Nb2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   7.63
_cell_angle_alpha   104.96
_cell_angle_beta   104.96
_cell_angle_gamma   29.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Pb
_chemical_formula_sum   'Nb4 Pb2'
_cell_volume   123.16
_cell_formula_units_Z   2
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  0.43  0.0  0.27  1.0
  Nb  Nb1  1  0.79  0.0  0.08  1.0
  Nb  Nb2  1  0.65  0.0  0.62  1.0
  Nb  Nb3  1  0.57  0.0  0.74  1.0
  Pb  Pb4  1  0.7  0.0  0.49  1.0
  Pb  Pb5  1  0.52  0.0  0.87  1.0

data_Nb2Pb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.98
_cell_length_b   5.82
_cell_length_c   7.63
_cell_angle_alpha   104.96
_cell_angle_beta   90.0
_cell_angle_gamma   104.81
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Nb2Pb
_chemical_formula_sum   'Nb4 Pb2'
_cell_volume   123.16
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.04  0.94  1.0
  Nb  Nb1  2  0.0  0.18  0.41  1.0
  Pb  Pb2  2  0.0  0.09  0.81  1.0

Nb Nb Nb Nb Pb Pb