data_IrRu2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   150.44
_cell_angle_beta   130.94
_cell_angle_gamma   58.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrRu2Pb
_chemical_formula_sum   'Ir1 Ru2 Pb1'
_cell_volume   67.02
_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  0.75  1.0
  Ru  Ru2  1  0.0  0.0  0.21  1.0
  Ru  Ru3  1  0.44  0.0  0.45  1.0
  Pb  Pb1  1  0.0  0.35  0.47  1.0

data_IrRu2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.7
_cell_length_c   5.66
_cell_angle_alpha   114.53
_cell_angle_beta   104.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrRu2Pb
_chemical_formula_sum   'Ir1 Ru2 Pb1'
_cell_volume   67.02
_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  0.25  0.25  0.25  1.0
  Ru  Ru1  1  0.79  0.79  0.79  1.0
  Ru  Ru2  1  1.0  0.55  1.0  1.0
  Pb  Pb3  1  0.53  0.88  0.88  1.0

Ir Ru Ru Pb