data_YTa2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   3.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Sb
_chemical_formula_sum   'Y1 Ta2 Sb1'
_cell_volume   86.55
_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  Ta1  1  0.51  0.75  0.59  1.0
  Ta  Ta2  1  0.51  0.25  0.59  1.0
  Sb  Sb0  1  0.03  0.0  0.0  1.0

data_YTa2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   112.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Sb
_chemical_formula_sum   'Y1 Ta2 Sb1'
_cell_volume   86.55
_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  0.59  0.51  0.25  1.0
  Ta  Ta2  1  0.59  0.51  0.75  1.0
  Sb  Sb3  1  -0.0  0.03  0.0  1.0

Y Ta Ta Sb
YTa2Sb crystallizes in the triclinic P1 space group. Y(1) is bonded in a single-bond geometry to two equivalent Ta(1) and one Sb(1) atom. There is one shorter (2.80 Å) and one longer (3.09 Å) Y(1)-Ta(1) bond length. The Y(1)-Sb(1) bond length is 0.15 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 7-coordinate geometry to two equivalent Y(1), two equivalent Ta(1), two equivalent Ta(2), and one Sb(1) atom. Both Ta(1)-Ta(1) bond lengths are 3.17 Å. There is one shorter (2.69 Å) and one longer (2.74 Å) Ta(1)-Ta(2) bond length. The Ta(1)-Sb(1) bond length is 3.65 Å. In the second Ta site, Ta(2) is bonded in a 4-coordinate geometry to two equivalent Ta(1) and two equivalent Sb(1) atoms. There is one shorter (2.80 Å) and one longer (3.09 Å) Ta(2)-Sb(1) bond length. Sb(1) is bonded in a single-bond geometry to one Y(1), one Ta(1), and two equivalent Ta(2) atoms.