data_Ir2PdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.79
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2PdPb
_chemical_formula_sum   'Ir2 Pd1 Pb1'
_cell_volume   68.31
_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
  Ir  Ir0  1  0.0  0.4  0.43  1.0
  Ir  Ir1  1  0.46  0.0  0.43  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.46  0.4  0.0  1.0

data_Ir2PdPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.79
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2PdPb
_chemical_formula_sum   'Ir2 Pd1 Pb1'
_cell_volume   68.31
_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
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.4  0.43  1.0
  Ir  Ir2  1  0.46  0.0  0.43  1.0
  Pb  Pb3  1  0.46  0.4  0.0  1.0

Ir Ir Pd Pb
Ir Ir Pd Pb 0 1 - o o 0 1 o o o 0 3 - o o 0 3 o o o 0 0 + o o 0 2 o o o 1 2 o o o 1 2 + o o 1 1 + o o 1 3 o o o 2 3 - o o 2 3 o o o 2 2 + o o 3 3 + o o 