data_ThTa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   137.06
_cell_angle_beta   137.06
_cell_angle_gamma   62.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThTa3
_chemical_formula_sum   'Th1 Ta3'
_cell_volume   84.71
_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
  Th  Th3  1  0.0  0.0  0.87  1.0
  Ta  Ta0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.08  0.0  0.44  1.0
  Ta  Ta2  1  0.0  0.08  0.44  1.0

data_ThTa3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   121.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ThTa3
_chemical_formula_sum   'Th2 Ta6'
_cell_volume   169.42
_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
  Th  Th0  2  0.13  0.0  0.13  1.0
  Ta  Ta1  4  0.11  0.46  0.65  1.0
  Ta  Ta2  2  0.0  0.0  0.0  1.0

Th Ta Ta Ta
Th Ta Ta Ta 0 1 o o + 2 3 o o o 
ThTa(Ta)2 is alpha carbon monoxide-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two tantalum;thorium molecules and two Ta clusters. In each Ta cluster, Ta(2) is bonded in a single-bond geometry to one Ta(2) atom. The Ta(2)-Ta(2) bond length is 0.50 Å.