data_YTaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   5.8
_cell_angle_alpha   101.98
_cell_angle_beta   101.98
_cell_angle_gamma   41.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaTc2
_chemical_formula_sum   'Y1 Ta1 Tc2'
_cell_volume   76.49
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Ta  Ta0  1  0.58  0.0  0.83  1.0
  Tc  Tc1  1  0.07  0.0  0.67  1.0
  Tc  Tc2  1  0.1  0.0  0.98  1.0

data_YTaTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.52
_cell_length_c   5.8
_cell_angle_alpha   101.98
_cell_angle_beta   90.0
_cell_angle_gamma   110.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaTc2
_chemical_formula_sum   'Y1 Ta1 Tc2'
_cell_volume   76.49
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.42  0.17  1.0
  Tc  Tc2  1  0.0  0.9  0.02  1.0
  Tc  Tc3  1  0.0  0.93  0.33  1.0

Y Ta Tc Tc
Y Ta Tc Tc 0 3 o o - 0 1 - o - 0 2 o o - 1 2 o o o 1 3 + o o 2 3 o o o 
YTaTc2 crystallizes in the triclinic P1 space group. Y(1) is bonded in a single-bond geometry to one Ta(1), one Tc(2), and two equivalent Tc(1) atoms. The Y(1)-Ta(1) bond length is 1.94 Å. The Y(1)-Tc(2) bond length is 0.47 Å. There is one shorter (1.99 Å) and one longer (3.84 Å) Y(1)-Tc(1) bond length. Ta(1) is bonded in a 4-coordinate geometry to one Y(1), one Tc(2), and four equivalent Tc(1) atoms. The Ta(1)-Tc(2) bond length is 2.54 Å. There are a spread of Ta(1)-Tc(1) bond distances ranging from 2.32-3.42 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 9-coordinate geometry to two equivalent Y(1), four equivalent Ta(1), one Tc(2), and two equivalent Tc(1) atoms. The Tc(1)-Tc(2) bond length is 1.79 Å. Both Tc(1)-Tc(1) bond lengths are 3.20 Å. In the second Tc site, Tc(2) is bonded in a single-bond geometry to one Y(1), one Ta(1), and one Tc(1) atom.