data_IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.7
_cell_length_b   8.65
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPb
_chemical_formula_sum   'Ir12 Pb12'
_cell_volume   509.82
_cell_formula_units_Z   12
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
  Ir  Ir0  1  0.11  0.14  0.52  1.0
  Ir  Ir1  1  0.59  0.51  0.56  1.0
  Ir  Ir2  1  0.59  0.46  0.52  1.0
  Ir  Ir3  1  0.11  0.19  0.56  1.0
  Ir  Ir4  1  0.91  0.49  0.52  1.0
  Ir  Ir5  1  0.79  0.16  0.56  1.0
  Ir  Ir6  1  0.79  0.16  0.52  1.0
  Ir  Ir7  1  0.91  0.49  0.56  1.0
  Ir  Ir8  1  0.25  0.49  0.0  1.0
  Ir  Ir9  1  0.45  0.16  0.04  1.0
  Ir  Ir10  1  0.45  0.16  0.0  1.0
  Ir  Ir11  1  0.25  0.49  0.04  1.0
  Pb  Pb12  1  0.51  0.05  0.52  1.0
  Pb  Pb13  1  0.19  0.6  0.56  1.0
  Pb  Pb14  1  0.19  0.38  0.52  1.0
  Pb  Pb15  1  0.51  0.27  0.56  1.0
  Pb  Pb16  1  0.95  0.18  0.52  1.0
  Pb  Pb17  1  0.75  0.47  0.56  1.0
  Pb  Pb18  1  0.75  0.86  0.52  1.0
  Pb  Pb19  1  0.95  0.79  0.56  1.0
  Pb  Pb20  1  0.72  0.49  0.0  1.0
  Pb  Pb21  1  0.98  0.16  0.04  1.0
  Pb  Pb22  1  0.98  0.16  0.0  1.0
  Pb  Pb23  1  0.72  0.49  0.04  1.0

data_IrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.08
_cell_length_b   8.65
_cell_length_c   9.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPb
_chemical_formula_sum   'Ir12 Pb12'
_cell_volume   509.82
_cell_formula_units_Z   12
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
  Ir  Ir0  1  -0.0  0.84  0.55  1.0
  Ir  Ir1  1  -0.0  0.51  0.75  1.0
  Ir  Ir2  1  0.44  0.49  0.41  1.0
  Ir  Ir3  1  0.44  0.51  0.09  1.0
  Ir  Ir4  1  0.44  0.81  0.89  1.0
  Ir  Ir5  1  0.44  0.84  0.21  1.0
  Ir  Ir6  1  0.48  0.51  0.09  1.0
  Ir  Ir7  1  0.48  0.54  0.41  1.0
  Ir  Ir8  1  0.48  0.84  0.21  1.0
  Ir  Ir9  1  0.48  0.86  0.89  1.0
  Ir  Ir10  1  0.96  0.51  0.75  1.0
  Ir  Ir11  1  0.96  0.84  0.55  1.0
  Pb  Pb12  1  -0.0  0.84  0.02  1.0
  Pb  Pb13  1  -0.0  0.51  0.28  1.0
  Pb  Pb14  1  0.44  0.21  0.05  1.0
  Pb  Pb15  1  0.44  0.4  0.81  1.0
  Pb  Pb16  1  0.44  0.53  0.25  1.0
  Pb  Pb17  1  0.44  0.73  0.49  1.0
  Pb  Pb18  1  0.48  0.14  0.25  1.0
  Pb  Pb19  1  0.48  0.62  0.81  1.0
  Pb  Pb20  1  0.48  0.82  0.05  1.0
  Pb  Pb21  1  0.48  0.95  0.49  1.0
  Pb  Pb22  1  0.96  0.51  0.28  1.0
  Pb  Pb23  1  0.96  0.84  0.02  1.0

Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb
Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb 0 3 o o o 0 14 o o o 0 16 - o o 1 2 o o o 1 15 o o o 1 17 o o o 2 15 o o o 2 17 o o o 3 14 o o o 3 16 - o o 4 7 o o o 4 17 o o o 5 6 o o o 5 16 o o o 6 16 o o o 7 17 o o o 8 11 o o o 9 10 o o o 12 15 o o o 13 14 o o o 18 19 o o o 20 23 o o o 21 22 o o o 