data_Ta2VRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2VRh
_chemical_formula_sum   'Ta2 V1 Rh1'
_cell_volume   62.78
_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
  Ta  Ta1  1  0.58  0.58  0.58  1.0
  Ta  Ta2  1  0.73  0.73  0.73  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.15  0.15  0.15  1.0

data_Ta2VRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   10.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ta2VRh
_chemical_formula_sum   'Ta6 V3 Rh3'
_cell_volume   188.34
_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
  Ta  Ta0  3  0.0  0.0  0.27  1.0
  Ta  Ta1  3  0.0  0.0  0.42  1.0
  V  V2  3  0.0  0.0  0.0  1.0
  Rh  Rh3  3  0.0  0.0  0.85  1.0

Ta Ta V Rh
Ta2VRh crystallizes in the trigonal R3m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one Ta(2) and three equivalent Rh(1) atoms to form distorted corner-sharing TaTaRh3 tetrahedra. The Ta(1)-Ta(2) bond length is 1.69 Å. All Ta(1)-Rh(1) bond lengths are 2.75 Å. In the second Ta site, Ta(2) is bonded in a 8-coordinate geometry to one Ta(1), four equivalent V(1), and three equivalent Rh(1) atoms. There are three shorter (2.67 Å) and one longer (2.93 Å) Ta(2)-V(1) bond length. All Ta(2)-Rh(1) bond lengths are 2.75 Å. V(1) is bonded in a single-bond geometry to four equivalent Ta(2) and one Rh(1) atom. The V(1)-Rh(1) bond length is 1.69 Å. Rh(1) is bonded in a distorted single-bond geometry to three equivalent Ta(1), three equivalent Ta(2), and one V(1) atom.