data_NbPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37
_cell_length_b   7.77
_cell_length_c   3.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPb2
_chemical_formula_sum   'Nb2 Pb4'
_cell_volume   180.01
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.69  0.89  0.57  1.0
  Pb  Pb2  1  0.97  0.7  0.0  1.0
  Pb  Pb3  1  0.41  0.08  0.0  1.0
  Pb  Pb4  1  0.65  0.96  0.57  1.0
  Pb  Pb5  1  0.72  0.81  0.57  1.0

data_NbPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   7.37
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPb2
_chemical_formula_sum   'Nb2 Pb4'
_cell_volume   180.01
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.57  0.69  0.89  1.0
  Pb  Pb2  1  0.0  0.41  0.08  1.0
  Pb  Pb3  1  0.0  0.97  0.7  1.0
  Pb  Pb4  1  0.57  0.65  0.96  1.0
  Pb  Pb5  1  0.57  0.72  0.81  1.0

Nb Nb Pb Pb Pb Pb