data_FeIrRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeIrRu2
_chemical_formula_sum   'Fe1 Ir1 Ru2'
_cell_volume   53.16
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.73  1.0
  Ru  Ru2  1  0.33  0.33  0.7  1.0
  Ru  Ru3  1  0.33  0.33  0.76  1.0

data_FeIrRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeIrRu2
_chemical_formula_sum   'Fe2 Ir2 Ru4'
_cell_volume   106.32
_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
  Fe  Fe0  2  0.0  0.0  0.0  1.0
  Ir  Ir1  2  0.0  0.0  0.73  1.0
  Ru  Ru2  2  0.33  0.0  0.7  1.0
  Ru  Ru3  2  0.33  0.0  0.76  1.0

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