data_ReIrRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReIrRu2
_chemical_formula_sum   'Re1 Ir1 Ru2'
_cell_volume   57.47
_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
  Re  Re1  1  0.0  0.0  0.81  1.0
  Ir  Ir0  1  0.36  0.36  0.87  1.0
  Ru  Ru2  1  0.36  0.36  0.01  1.0
  Ru  Ru3  1  0.0  0.0  0.9  1.0

data_ReIrRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReIrRu2
_chemical_formula_sum   'Re2 Ir2 Ru4'
_cell_volume   114.95
_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
  Re  Re0  2  0.0  0.0  0.81  1.0
  Ru  Ru1  2  0.0  0.0  0.9  1.0
  Ru  Ru2  2  0.36  0.0  0.01  1.0
  Ir  Ir3  2  0.36  0.0  0.87  1.0

Re Ir Ru Ru