data_V2IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.75
_cell_length_b   8.75
_cell_length_c   8.75
_cell_angle_alpha   17.95
_cell_angle_beta   17.95
_cell_angle_gamma   17.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2IrRu
_chemical_formula_sum   'V2 Ir1 Ru1'
_cell_volume   55.55
_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
  V  V2  1  0.0  0.0  0.34  1.0
  V  V3  1  0.0  0.0  0.48  1.0
  Ir  Ir0  1  0.0  0.0  0.91  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_V2IrRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.73
_cell_length_b   2.73
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   100.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2IrRu
_chemical_formula_sum   'V4 Ir2 Ru2'
_cell_volume   111.11
_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  0.52  1.0
  V  V1  2  0.0  0.0  0.66  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0
  Ir  Ir3  2  0.0  0.0  0.09  1.0

V V Ir Ru
V V Ir Ru 0 1 o o o 2 3 o o + 