data_YTa2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.67
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   101.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Ti
_chemical_formula_sum   'Y1 Ta2 Ti1'
_cell_volume   83.88
_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  0.91  0.33  0.54  1.0
  Ta  Ta0  1  0.79  0.0  0.26  1.0
  Ta  Ta1  1  0.97  0.33  0.52  1.0
  Ti  Ti2  1  0.01  0.0  0.71  1.0

data_YTa2Ti
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.67
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   101.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Ti
_chemical_formula_sum   'Y1 Ta2 Ti1'
_cell_volume   83.88
_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  0.91  0.33  0.54  1.0
  Ta  Ta1  1  0.79  0.0  0.26  1.0
  Ta  Ta2  1  0.97  0.33  0.52  1.0
  Ti  Ti3  1  0.01  0.0  0.71  1.0

Y Ta Ta Ti
Y Ta Ta Ti 0 2 o o o 0 1 o o o 0 3 + o o 1 2 o o o 2 3 + o o 
YTiTa2 crystallizes in the triclinic P1 space group. Y(1) is bonded in a single-bond geometry to one Ti(1), one Ta(1), and one Ta(2) atom. The Y(1)-Ti(1) bond length is 1.86 Å. The Y(1)-Ta(1) bond length is 2.31 Å. The Y(1)-Ta(2) bond length is 0.29 Å. Ti(1) is bonded in a distorted single-bond geometry to one Y(1) and three equivalent Ta(1) atoms. There are a spread of Ti(1)-Ta(1) bond distances ranging from 2.72-3.71 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 8-coordinate geometry to one Y(1), three equivalent Ti(1), two equivalent Ta(1), and two equivalent Ta(2) atoms. Both Ta(1)-Ta(1) bond lengths are 2.98 Å. There is one shorter (2.20 Å) and one longer (3.48 Å) Ta(1)-Ta(2) bond length. In the second Ta site, Ta(2) is bonded in a single-bond geometry to one Y(1) and two equivalent Ta(1) atoms.