data_Ta2RhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2RhSe
_chemical_formula_sum   'Ta2 Rh1 Se1'
_cell_volume   69.5
_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  0.64  0.64  0.33  1.0
  Ta  Ta3  1  0.0  0.0  0.79  1.0
  Rh  Rh0  1  0.64  0.64  0.01  1.0
  Se  Se1  1  0.0  0.0  0.96  1.0

data_Ta2RhSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2RhSe
_chemical_formula_sum   'Ta4 Rh2 Se2'
_cell_volume   139.0
_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
  Ta  Ta0  2  0.0  0.0  0.79  1.0
  Ta  Ta1  2  0.14  0.5  0.33  1.0
  Rh  Rh2  2  0.14  0.5  0.01  1.0
  Se  Se3  2  0.0  0.0  0.96  1.0

Ta Ta Rh Se
Ta Ta Rh Se 0 2 o o o 1 3 o o o 2 3 + + - 
Ta2RhSe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ta2RhSe clusters. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Rh(1) atom. The Ta(1)-Rh(1) bond length is 2.04 Å. In the second Ta site, Ta(2) is bonded in a single-bond geometry to one Se(1) atom. The Ta(2)-Se(1) bond length is 1.04 Å. Rh(1) is bonded in a distorted water-like geometry to one Ta(1) and one Se(1) atom. The Rh(1)-Se(1) bond length is 1.70 Å. Se(1) is bonded in a distorted single-bond geometry to one Ta(2) and one Rh(1) atom.