data_TaRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRh3
_chemical_formula_sum   'Ta4 Rh12'
_cell_volume   236.98
_cell_formula_units_Z   4
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  Ta12  1  0.0  0.0  0.0  1.0
  Ta  Ta13  1  0.0  0.0  0.48  1.0
  Ta  Ta14  1  0.0  0.19  0.24  1.0
  Ta  Ta15  1  0.76  0.59  0.72  1.0
  Rh  Rh0  1  0.62  0.39  0.0  1.0
  Rh  Rh1  1  0.62  0.39  0.48  1.0
  Rh  Rh2  1  0.0  0.62  0.72  1.0
  Rh  Rh3  1  0.64  0.97  0.72  1.0
  Rh  Rh4  1  0.4  0.81  0.24  1.0
  Rh  Rh5  1  0.76  0.0  0.0  1.0
  Rh  Rh6  1  0.76  0.0  0.48  1.0
  Rh  Rh7  1  0.38  0.39  0.0  1.0
  Rh  Rh8  1  0.38  0.39  0.48  1.0
  Rh  Rh9  1  0.36  0.97  0.72  1.0
  Rh  Rh10  1  0.12  0.81  0.24  1.0
  Rh  Rh11  1  0.76  0.16  0.24  1.0

data_TaRh3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRh3
_chemical_formula_sum   'Ta4 Rh12'
_cell_volume   236.98
_cell_formula_units_Z   4
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  Ta0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.0  0.48  1.0
  Ta  Ta2  1  0.0  0.19  0.24  1.0
  Ta  Ta3  1  0.76  0.59  0.72  1.0
  Rh  Rh4  1  0.0  0.62  0.72  1.0
  Rh  Rh5  1  0.12  0.81  0.24  1.0
  Rh  Rh6  1  0.36  0.97  0.72  1.0
  Rh  Rh7  1  0.38  0.39  -0.0  1.0
  Rh  Rh8  1  0.38  0.39  0.48  1.0
  Rh  Rh9  1  0.4  0.81  0.24  1.0
  Rh  Rh10  1  0.62  0.39  -0.0  1.0
  Rh  Rh11  1  0.62  0.39  0.48  1.0
  Rh  Rh12  1  0.64  0.97  0.72  1.0
  Rh  Rh13  1  0.76  0.0  0.0  1.0
  Rh  Rh14  1  0.76  0.0  0.48  1.0
  Rh  Rh15  1  0.76  0.16  0.24  1.0

Ta Ta Ta Ta Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh
Ta Ta Ta Ta Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh 0 9 - o o 1 10 - o o 2 15 - o o 3 6 + o o 4 11 o o o 5 12 o o o 7 13 o o o 8 14 o o o 
Rh3Ta crystallizes in the triclinic P1 space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted single-bond geometry to one Rh(10), one Rh(11), one Rh(6), and one Rh(8) atom. The Ta(1)-Rh(10) bond length is 3.22 Å. The Ta(1)-Rh(11) bond length is 2.64 Å. The Ta(1)-Rh(6) bond length is 1.31 Å. The Ta(1)-Rh(8) bond length is 2.14 Å. In the second Ta site, Ta(2) is bonded in a distorted single-bond geometry to one Rh(10), one Rh(11), one Rh(7), and one Rh(9) atom. The Ta(2)-Rh(10) bond length is 2.99 Å. The Ta(2)-Rh(11) bond length is 2.64 Å. The Ta(2)-Rh(7) bond length is 1.31 Å. The Ta(2)-Rh(9) bond length is 2.14 Å. In the third Ta site, Ta(3) is bonded in a single-bond geometry to one Rh(11), one Rh(12), and one Rh(5) atom. The Ta(3)-Rh(11) bond length is 2.51 Å. The Ta(3)-Rh(12) bond length is 1.25 Å. The Ta(3)-Rh(5) bond length is 3.01 Å. In the fourth Ta site, Ta(4) is bonded in a distorted single-bond geometry to one Rh(1), one Rh(10), one Rh(2), one Rh(3), and one Rh(4) atom. The Ta(4)-Rh(1) bond length is 2.67 Å. The Ta(4)-Rh(10) bond length is 3.01 Å. The Ta(4)-Rh(2) bond length is 2.38 Å. The Ta(4)-Rh(3) bond length is 1.25 Å. The Ta(4)-Rh(4) bond length is 2.51 Å. There are twelve inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 2-coordinate geometry to one Ta(4) and one Rh(8) atom. The Rh(1)-Rh(8) bond length is 1.31 Å. In the second Rh site, Rh(2) is bonded in a distorted L-shaped geometry to one Ta(4) and one Rh(9) atom. The Rh(2)-Rh(9) bond length is 1.31 Å. In the third Rh site, Rh(3) is bonded in a single-bond geometry to one Ta(4) and one Rh(10) atom. The Rh(3)-Rh(10) bond length is 1.97 Å. In the fourth Rh site, Rh(4) is bonded in a 2-coordinate geometry to one Ta(4) and one Rh(10) atom. The Rh(4)-Rh(10) bond length is 1.55 Å. In the fifth Rh site, Rh(5) is bonded in a 3-coordinate geometry to one Ta(3), one Rh(11), and one Rh(12) atom. The Rh(5)-Rh(11) bond length is 1.55 Å. The Rh(5)-Rh(12) bond length is 1.97 Å. In the sixth Rh site, Rh(6) is bonded in a single-bond geometry to one Ta(1) atom. In the seventh Rh site, Rh(7) is bonded in a single-bond geometry to one Ta(2) atom. In the eighth Rh site, Rh(8) is bonded in a 2-coordinate geometry to one Ta(1) and one Rh(1) atom. In the ninth Rh site, Rh(9) is bonded in a distorted bent 120 degrees geometry to one Ta(2) and one Rh(2) atom. In the tenth Rh site, Rh(10) is bonded in a 5-coordinate geometry to one Ta(1), one Ta(2), one Ta(4), one Rh(3), and one Rh(4) atom. In the eleventh Rh site, Rh(11) is bonded in a 4-coordinate geometry to one Ta(1), one Ta(2), one Ta(3), and one Rh(5) atom. In the twelfth Rh site, Rh(12) is bonded in a single-bond geometry to one Ta(3) and one Rh(5) atom.