data_VIr2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIr2Rh
_chemical_formula_sum   'V1 Ir2 Rh1'
_cell_volume   57.85
_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  V3  1  0.0  0.0  0.06  1.0
  Ir  Ir0  1  0.64  0.64  0.37  1.0
  Ir  Ir1  1  0.0  0.0  0.35  1.0
  Rh  Rh2  1  0.64  0.64  0.73  1.0

data_VIr2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VIr2Rh
_chemical_formula_sum   'V2 Ir4 Rh2'
_cell_volume   115.71
_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  0.06  1.0
  Ir  Ir1  2  0.0  0.0  0.35  1.0
  Ir  Ir2  2  0.14  0.5  0.37  1.0
  Rh  Rh3  2  0.14  0.5  0.73  1.0

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