data_CoIrRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78
_cell_length_b   8.78
_cell_length_c   8.78
_cell_angle_alpha   17.62
_cell_angle_beta   17.62
_cell_angle_gamma   17.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoIrRu2
_chemical_formula_sum   'Co1 Ir1 Ru2'
_cell_volume   54.12
_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
  Co  Co0  1  0.0  0.0  0.97  1.0
  Ir  Ir1  1  0.0  0.0  0.5  1.0
  Ru  Ru2  1  0.0  0.0  0.89  1.0
  Ru  Ru3  1  0.0  0.0  0.44  1.0

data_CoIrRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   2.69
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   100.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoIrRu2
_chemical_formula_sum   'Co2 Ir2 Ru4'
_cell_volume   108.24
_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
  Co  Co0  2  -0.0  0.0  0.03  1.0
  Ir  Ir1  2  -0.0  0.0  0.5  1.0
  Ru  Ru2  2  -0.0  0.0  0.56  1.0
  Ru  Ru3  2  -0.0  0.0  0.11  1.0

Co Ir Ru Ru