data_VIrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   154.25
_cell_angle_beta   154.25
_cell_angle_gamma   36.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIrRu
_chemical_formula_sum   'V1 Ir1 Ru1'
_cell_volume   41.93
_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
  V  V2  1  0.0  0.0  0.84  1.0
  Ir  Ir0  1  0.0  0.0  0.47  1.0
  Ru  Ru1  1  0.0  0.0  0.69  1.0

data_VIrRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   108.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VIrRu
_chemical_formula_sum   'V2 Ir2 Ru2'
_cell_volume   83.85
_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
  V  V0  2  0.0  0.0  0.16  1.0
  Ru  Ru1  2  0.0  0.0  0.31  1.0
  Ir  Ir2  2  0.0  0.0  0.53  1.0

V Ir Ru
V Ir Ru 0 2 o o o 1 2 o o o 