data_IrRuPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   132.2
_cell_angle_beta   132.2
_cell_angle_gamma   69.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrRuPt2
_chemical_formula_sum   'Ir1 Ru1 Pt2'
_cell_volume   59.49
_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  0.94  0.0  0.97  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.93  1.0
  Pt  Pt2  1  0.0  0.94  0.97  1.0

data_IrRuPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   4.8
_cell_angle_alpha   113.9
_cell_angle_beta   113.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrRuPt2
_chemical_formula_sum   'Ir1 Ru1 Pt2'
_cell_volume   59.49
_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
  Ru  Ru0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.03  0.0  0.98  1.0
  Pt  Pt2  1  0.07  0.0  0.07  1.0
  Pt  Pt3  1  0.98  0.94  0.98  1.0

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