data_Ir2OsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   3.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2OsRu
_chemical_formula_sum   'Ir2 Os1 Ru1'
_cell_volume   57.21
_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  0.92  0.94  1.0
  Ir  Ir1  1  0.92  0.0  0.94  1.0
  Os  Os2  1  0.92  0.92  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Ir2OsRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   3.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ir2OsRu
_chemical_formula_sum   'Ir4 Os2 Ru2'
_cell_volume   114.42
_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
  Ir  Ir0  4  0.46  0.46  0.94  1.0
  Ru  Ru1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.42  0.5  -0.0  1.0

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