data_IrRuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   2.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrRuPt
_chemical_formula_sum   'Ir1 Ru1 Pt1'
_cell_volume   45.54
_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  1.0  0.56  0.02  1.0
  Ru  Ru2  1  0.0  0.0  0.78  1.0
  Pt  Pt1  1  0.21  0.28  0.89  1.0

data_IrRuPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrRuPt
_chemical_formula_sum   'Ir1 Ru1 Pt1'
_cell_volume   45.54
_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  0.02  1.0  0.56  1.0
  Ru  Ru1  1  0.78  0.0  0.0  1.0
  Pt  Pt2  1  0.89  0.21  0.28  1.0

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