data_YTa2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   2.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Si
_chemical_formula_sum   'Y1 Ta2 Si1'
_cell_volume   77.54
_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  0.93  0.0  0.0  1.0
  Ta  Ta1  1  0.46  0.25  0.47  1.0
  Ta  Ta2  1  0.46  0.75  0.47  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0

data_YTa2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   113.83
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Si
_chemical_formula_sum   'Y1 Ta2 Si1'
_cell_volume   77.54
_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  0.93  0.0  1.0
  Ta  Ta1  1  0.47  0.46  0.75  1.0
  Ta  Ta2  1  0.47  0.46  0.25  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Y Ta Ta Si
Y Ta Ta Si 0 3 + o o 0 1 + o o 0 1 + o - 0 2 o - o 0 2 o - - 1 3 o o o 1 3 o o + 1 2 o o o 1 2 o - o 1 1 o o + 2 3 + + o 2 3 + + + 2 2 o o + 
YTa2Si crystallizes in the triclinic P1 space group. Y(1) is bonded in a single-bond geometry to two equivalent Ta(2) and one Si(1) atom. There is one shorter (2.69 Å) and one longer (2.78 Å) Y(1)-Ta(2) bond length. The Y(1)-Si(1) bond length is 0.38 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 2-coordinate geometry to two equivalent Ta(2) and two equivalent Si(1) atoms. There is one shorter (2.66 Å) and one longer (2.70 Å) Ta(1)-Ta(2) bond length. There is one shorter (2.69 Å) and one longer (2.78 Å) Ta(1)-Si(1) bond length. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to two equivalent Y(1), two equivalent Ta(1), and two equivalent Ta(2) atoms. Both Ta(2)-Ta(2) bond lengths are 2.94 Å. Si(1) is bonded in a single-bond geometry to one Y(1) and two equivalent Ta(1) atoms.