data_TaGa2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGa2Rh
_chemical_formula_sum   'Ta1 Ga2 Rh1'
_cell_volume   61.09
_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  Ta3  1  0.0  0.0  0.48  1.0
  Ga  Ga0  1  0.07  0.0  0.4  1.0
  Ga  Ga1  1  0.07  0.0  0.56  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_TaGa2Rh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TaGa2Rh
_chemical_formula_sum   'Ta1 Ga2 Rh1'
_cell_volume   61.11
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.48  1.0
  Ga  Ga1  1  0.07  0.0  0.4  1.0
  Ga  Ga2  1  0.07  0.0  0.56  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

Ta Ga Ga Rh
Ta Ga Ga Rh 0 1 o o o 0 2 o o o 0 3 o o o 1 3 o o o 2 3 o o + 3 3 o + o 3 3 + o o 
TaRhGa2 crystallizes in the monoclinic Pm space group. Ta(1) is bonded in a bent 150 degrees geometry to one Ga(1) and one Ga(2) atom. The Ta(1)-Ga(1) bond length is 0.61 Å. The Ta(1)-Ga(2) bond length is 0.61 Å. Rh(1) is bonded to four equivalent Rh(1), one Ga(1), and one Ga(2) atom to form a mixture of distorted edge and corner-sharing RhGa2Rh4 octahedra. The corner-sharing octahedra are not tilted. All Rh(1)-Rh(1) bond lengths are 2.96 Å. The Rh(1)-Ga(1) bond length is 2.77 Å. The Rh(1)-Ga(2) bond length is 3.05 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a single-bond geometry to one Ta(1) and one Rh(1) atom. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one Ta(1) and one Rh(1) atom.