data_IrRu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrRu2Pt
_chemical_formula_sum   'Ir1 Ru2 Pt1'
_cell_volume   59.66
_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  0.66  1.0
  Ru  Ru2  1  0.0  0.0  0.06  1.0
  Ru  Ru3  1  0.66  0.66  0.34  1.0
  Pt  Pt1  1  0.66  0.66  0.06  1.0

data_IrRu2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   IrRu2Pt
_chemical_formula_sum   'Ir2 Ru4 Pt2'
_cell_volume   119.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ru  Ru0  2  0.0  0.0  0.06  1.0
  Ir  Ir1  2  0.0  0.0  0.66  1.0
  Ru  Ru2  2  0.16  0.5  0.34  1.0
  Pt  Pt3  2  0.16  0.5  0.06  1.0

Ir Ru Ru Pt
Ir Ru Ru Pt 0 2 - - o 0 1 o o + 1 3 - - o 2 3 o o o 