data_Ta2ReRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ReRh
_chemical_formula_sum   'Ta2 Re1 Rh1'
_cell_volume   65.58
_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  Ta2  1  0.81  0.0  0.13  1.0
  Ta  Ta3  1  0.0  0.0  0.37  1.0
  Re  Re0  1  0.81  0.0  0.13  1.0
  Rh  Rh1  1  0.0  0.0  0.27  1.0

data_Ta2ReRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ReRh
_chemical_formula_sum   'Ta2 Re1 Rh1'
_cell_volume   65.58
_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  Ta0  1  0.0  0.0  0.37  1.0
  Ta  Ta1  1  0.81  0.0  0.13  1.0
  Re  Re2  1  0.81  0.0  0.13  1.0
  Rh  Rh3  1  0.0  0.0  0.27  1.0

Ta Ta Re Rh 0 2 o o o 1 3 o o o 
Ta2ReRh crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ta2ReRh cluster. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Re(1) atom. The Ta(1)-Re(1) bond length is 0.06 Å. In the second Ta site, Ta(2) is bonded in a single-bond geometry to one Rh(1) atom. The Ta(2)-Rh(1) bond length is 0.90 Å. Re(1) is bonded in a distorted single-bond geometry to one Ta(1) and one Rh(1) atom. The Re(1)-Rh(1) bond length is 1.26 Å. Rh(1) is bonded in a distorted bent 150 degrees geometry to one Ta(2) and one Re(1) atom.