data_Li2TaRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   140.45
_cell_angle_beta   140.45
_cell_angle_gamma   57.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TaRh
_chemical_formula_sum   'Li2 Ta1 Rh1'
_cell_volume   62.05
_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
  Li  Li0  1  0.0  0.81  0.35  1.0
  Li  Li1  1  0.81  0.0  0.35  1.0
  Ta  Ta3  1  0.0  0.0  0.71  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_Li2TaRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   118.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2TaRh
_chemical_formula_sum   'Li4 Ta2 Rh2'
_cell_volume   124.1
_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
  Li  Li0  4  0.45  0.09  0.54  1.0
  Ta  Ta1  2  0.21  0.5  0.71  1.0
  Rh  Rh2  2  0.0  0.0  0.0  1.0

Li Li Ta Rh
Li Li Ta Rh 0 1 - + o 0 2 o + o 1 2 + o o 2 3 o o + 
Li2TaRh is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Li2TaRh clusters. Li(1) is bonded in a 2-coordinate geometry to one Li(1) and one Ta(1) atom. The Li(1)-Li(1) bond length is 0.95 Å. The Li(1)-Ta(1) bond length is 1.30 Å. Ta(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one Rh(1) atom. The Ta(1)-Rh(1) bond length is 1.56 Å. Rh(1) is bonded in a single-bond geometry to one Ta(1) atom.