data_Nb2IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.83
_cell_length_b   9.83
_cell_length_c   9.83
_cell_angle_alpha   17.94
_cell_angle_beta   17.94
_cell_angle_gamma   17.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2IrPb
_chemical_formula_sum   'Nb2 Ir1 Pb1'
_cell_volume   78.78
_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  0.0  0.84  1.0
  Nb  Nb2  1  0.0  0.0  0.63  1.0
  Ir  Ir0  1  0.0  0.0  0.49  1.0
  Pb  Pb3  1  0.0  0.0  0.59  1.0

data_Nb2IrPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   3.07
_cell_length_c   9.83
_cell_angle_alpha   90.0
_cell_angle_beta   100.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2IrPb
_chemical_formula_sum   'Nb4 Ir2 Pb2'
_cell_volume   157.56
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.16  1.0
  Nb  Nb1  2  0.0  0.0  0.37  1.0
  Ir  Ir2  2  0.0  0.0  0.51  1.0
  Pb  Pb3  2  0.0  0.0  0.41  1.0

Nb Nb Ir Pb