data_YTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   4.79
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2
_chemical_formula_sum   'Y4 Ta8'
_cell_volume   270.46
_cell_formula_units_Z   4
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
  Y  Y8  1  0.91  0.2  0.27  1.0
  Y  Y9  1  0.17  0.6  0.7  1.0
  Y  Y10  1  0.0  0.2  0.44  1.0
  Y  Y11  1  0.26  0.6  0.87  1.0
  Ta  Ta0  1  0.11  0.2  0.58  1.0
  Ta  Ta1  1  0.77  0.2  0.12  1.0
  Ta  Ta2  1  0.32  0.6  0.55  1.0
  Ta  Ta3  1  0.15  0.6  0.14  1.0
  Ta  Ta4  1  0.03  0.2  0.99  1.0
  Ta  Ta5  1  0.86  0.2  0.58  1.0
  Ta  Ta6  1  0.4  0.6  0.02  1.0
  Ta  Ta7  1  0.06  0.6  0.56  1.0

data_YTa2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.79
_cell_length_b   6.17
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YTa2
_chemical_formula_sum   'Y4 Ta8'
_cell_volume   270.46
_cell_formula_units_Z   4
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
  Y  Y0  2  0.3  0.33  0.7  1.0
  Y  Y1  2  0.3  0.41  0.87  1.0
  Ta  Ta2  2  0.3  0.18  0.55  1.0
  Ta  Ta3  2  0.3  0.27  0.02  1.0
  Ta  Ta4  2  0.3  0.44  0.42  1.0
  Ta  Ta5  2  0.3  0.53  0.01  1.0

Y Y Y Y Ta Ta Ta Ta Ta Ta Ta Ta
YTa2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of three YTa2 clusters. In one of the YTa2 clusters, Y(1) is bonded in a 1-coordinate geometry to one Ta(2) and one Ta(4) atom. The Y(1)-Ta(2) bond length is 1.59 Å. The Y(1)-Ta(4) bond length is 2.64 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(2) is bonded in a distorted single-bond geometry to one Y(1) and one Ta(4) atom. The Ta(2)-Ta(4) bond length is 1.97 Å. In the second Ta site, Ta(4) is bonded in a 2-coordinate geometry to one Y(1) and one Ta(2) atom. In two of the YTa2 clusters, Y(2) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(3) atom. The Y(2)-Ta(1) bond length is 1.45 Å. The Y(2)-Ta(3) bond length is 1.59 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 1-coordinate geometry to one Y(2) and one Ta(3) atom. The Ta(1)-Ta(3) bond length is 1.58 Å. In the second Ta site, Ta(3) is bonded in a 2-coordinate geometry to one Y(2) and one Ta(1) atom.