data_VIrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   4.07
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIrRh
_chemical_formula_sum   'V1 Ir1 Rh1'
_cell_volume   47.75
_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  0.0  1.0
  Ir  Ir0  1  0.32  0.32  0.32  1.0
  Rh  Rh1  1  0.44  0.44  0.44  1.0

data_VIrRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   9.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VIrRh
_chemical_formula_sum   'V3 Ir3 Rh3'
_cell_volume   143.24
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Ir  Ir1  3  0.0  0.0  0.68  1.0
  Rh  Rh2  3  0.0  0.0  0.56  1.0

V Ir Rh
VIrRh is half-Heusler structured and crystallizes in the trigonal R3m space group. V(1) is bonded in a 10-coordinate geometry to four equivalent Ir(1) and six equivalent Rh(1) atoms. There are three shorter (2.36 Å) and one longer (3.18 Å) V(1)-Ir(1) bond length. There are three shorter (2.58 Å) and three longer (3.26 Å) V(1)-Rh(1) bond lengths. Ir(1) is bonded in a distorted single-bond geometry to four equivalent V(1) and one Rh(1) atom. The Ir(1)-Rh(1) bond length is 1.20 Å. Rh(1) is bonded in a single-bond geometry to six equivalent V(1) and one Ir(1) atom.