data_Ir2Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54
_cell_length_b   7.54
_cell_length_c   7.54
_cell_angle_alpha   27.86
_cell_angle_beta   27.86
_cell_angle_gamma   27.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2Ru3
_chemical_formula_sum   'Ir2 Ru3'
_cell_volume   82.55
_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  0.0  0.64  1.0
  Ir  Ir1  1  0.0  0.0  0.07  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.25  1.0
  Ru  Ru4  1  0.0  0.0  0.47  1.0

data_Ir2Ru3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.28
_cell_length_b   3.63
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   106.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ir2Ru3
_chemical_formula_sum   'Ir4 Ru6'
_cell_volume   165.09
_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
  Ru  Ru0  2  0.0  0.0  0.0  1.0
  Ir  Ir1  2  0.0  0.0  0.36  1.0
  Ru  Ru2  2  0.0  0.0  0.53  1.0
  Ru  Ru3  2  0.0  0.0  0.75  1.0
  Ir  Ir4  2  0.0  0.0  0.93  1.0

Ir Ir Ru Ru Ru