data_IrRu2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrRu2Pb
_chemical_formula_sum   'Ir1 Ru2 Pb1'
_cell_volume   65.05
_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  0.0  0.0  1.0
  Ru  Ru2  1  0.46  0.09  0.45  1.0
  Ru  Ru3  1  0.46  0.91  0.45  1.0
  Pb  Pb1  1  0.93  0.0  0.0  1.0

data_IrRu2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   105.24
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrRu2Pb
_chemical_formula_sum   'Ir1 Ru2 Pb1'
_cell_volume   65.05
_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  0.0  0.0  1.0
  Ru  Ru1  1  0.45  0.46  0.09  1.0
  Ru  Ru2  1  0.45  0.46  0.91  1.0
  Pb  Pb3  1  0.0  0.93  0.0  1.0

Ir Ru Ru Pb