data_IrOsPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   3.9
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrOsPt2
_chemical_formula_sum   'Ir1 Os1 Pt2'
_cell_volume   60.0
_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  0.38  0.95  0.86  1.0
  Os  Os1  1  0.0  0.0  0.12  1.0
  Pt  Pt2  1  0.38  0.95  0.53  1.0
  Pt  Pt3  1  0.0  0.0  0.4  1.0

data_IrOsPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   3.9
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrOsPt2
_chemical_formula_sum   'Ir1 Os1 Pt2'
_cell_volume   60.0
_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
  Os  Os0  1  0.0  0.0  0.12  1.0
  Ir  Ir1  1  0.38  0.95  0.86  1.0
  Pt  Pt2  1  0.0  0.0  0.4  1.0
  Pt  Pt3  1  0.38  0.95  0.53  1.0

Ir Os Pt Pt
Ir Os Pt Pt 0 1 o + + 0 2 o o o 1 3 o o o 2 3 o + o 