data_Ir2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59
_cell_length_b   8.59
_cell_length_c   8.59
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2Pb
_chemical_formula_sum   'Ir16 Pb8'
_cell_volume   448.22
_cell_formula_units_Z   8
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  0.52  0.56  0.56  1.0
  Ir  Ir1  1  0.56  0.52  0.56  1.0
  Ir  Ir2  1  0.52  0.52  0.52  1.0
  Ir  Ir3  1  0.56  0.56  0.52  1.0
  Ir  Ir4  1  0.11  0.11  0.74  1.0
  Ir  Ir5  1  0.48  0.11  0.11  1.0
  Ir  Ir6  1  0.11  0.48  0.11  1.0
  Ir  Ir7  1  0.11  0.74  0.11  1.0
  Ir  Ir8  1  0.74  0.11  0.11  1.0
  Ir  Ir9  1  0.11  0.11  0.48  1.0
  Ir  Ir10  1  0.07  0.07  0.44  1.0
  Ir  Ir11  1  0.71  0.07  0.07  1.0
  Ir  Ir12  1  0.07  0.71  0.07  1.0
  Ir  Ir13  1  0.07  0.44  0.07  1.0
  Ir  Ir14  1  0.44  0.07  0.07  1.0
  Ir  Ir15  1  0.07  0.07  0.71  1.0
  Pb  Pb16  1  0.92  0.92  0.23  1.0
  Pb  Pb17  1  0.23  0.23  0.23  1.0
  Pb  Pb18  1  0.92  0.23  0.92  1.0
  Pb  Pb19  1  0.23  0.92  0.92  1.0
  Pb  Pb20  1  0.27  0.27  0.95  1.0
  Pb  Pb21  1  0.95  0.95  0.95  1.0
  Pb  Pb22  1  0.27  0.95  0.27  1.0
  Pb  Pb23  1  0.95  0.27  0.27  1.0

data_Ir2Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.59
_cell_length_b   8.59
_cell_length_c   21.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ir2Pb
_chemical_formula_sum   'Ir48 Pb24'
_cell_volume   1344.66
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.02  0.01  0.46  1.0
  Ir  Ir1  9  0.09  0.54  0.47  1.0
  Ir  Ir2  9  0.09  0.54  0.43  1.0
  Ir  Ir3  9  0.21  0.42  0.68  1.0
  Ir  Ir4  9  0.21  0.42  0.71  1.0
  Ir  Ir5  3  0.0  0.0  0.48  1.0
  Pb  Pb6  9  0.1  0.21  0.98  1.0
  Pb  Pb7  9  0.21  0.1  0.84  1.0
  Pb  Pb8  3  0.0  0.0  0.05  1.0
  Pb  Pb9  3  0.0  0.0  0.77  1.0

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