data_Y3Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   140.0
_cell_angle_beta   133.79
_cell_angle_gamma   62.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Sb
_chemical_formula_sum   'Y3 Sb1'
_cell_volume   114.98
_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  Y1  1  0.16  0.0  0.89  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.0  0.47  0.49  1.0
  Sb  Sb0  1  0.0  0.0  0.38  1.0

data_Y3Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.95
_cell_length_c   6.31
_cell_angle_alpha   113.11
_cell_angle_beta   110.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Sb
_chemical_formula_sum   'Y3 Sb1'
_cell_volume   114.98
_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
  Y  Y1  1  0.0  0.89  0.73  1.0
  Y  Y2  1  0.53  0.02  0.02  1.0
  Sb  Sb3  1  0.0  0.38  0.38  1.0

Y Y Y Sb
Y3Sb crystallizes in the triclinic P1 space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 4-coordinate geometry to one Y(2), one Y(3), and two equivalent Sb(1) atoms. The Y(1)-Y(2) bond length is 1.54 Å. The Y(1)-Y(3) bond length is 2.25 Å. There is one shorter (2.61 Å) and one longer (3.88 Å) Y(1)-Sb(1) bond length. In the second Y site, Y(2) is bonded in a 4-coordinate geometry to one Y(1), two equivalent Y(3), and one Sb(1) atom. There is one shorter (2.09 Å) and one longer (2.23 Å) Y(2)-Y(3) bond length. The Y(2)-Sb(1) bond length is 2.43 Å. In the third Y site, Y(3) is bonded in a 4-coordinate geometry to one Y(1), two equivalent Y(2), and one Sb(1) atom. The Y(3)-Sb(1) bond length is 2.51 Å. Sb(1) is bonded in a 3-coordinate geometry to one Y(2), one Y(3), and two equivalent Y(1) atoms.