data_Y2ReSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   149.28
_cell_angle_beta   136.34
_cell_angle_gamma   54.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ReSb
_chemical_formula_sum   'Y2 Re1 Sb1'
_cell_volume   98.85
_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  Y2  1  0.0  0.44  0.08  1.0
  Y  Y3  1  0.0  0.0  0.27  1.0
  Re  Re0  1  0.74  0.0  0.09  1.0
  Sb  Sb1  1  0.0  0.0  0.23  1.0

data_Y2ReSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.88
_cell_length_c   6.56
_cell_angle_alpha   111.83
_cell_angle_beta   105.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ReSb
_chemical_formula_sum   'Y2 Re1 Sb1'
_cell_volume   98.85
_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  0.73  0.73  0.73  1.0
  Y  Y1  1  0.92  0.36  0.36  1.0
  Re  Re2  1  0.64  0.91  0.64  1.0
  Sb  Sb3  1  0.77  0.77  0.77  1.0

Y Y Re Sb
Y Y Re Sb 0 2 - o - 0 2 - + o 0 3 o + o 0 3 o o - 0 1 o + o 0 1 o o - 0 0 o + + 1 3 o o o 1 2 - o o 2 3 + o o 
Y2ReSb crystallizes in the triclinic P1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(2), four equivalent Re(1), and one Sb(1) atom. Both Y(1)-Y(1) bond lengths are 3.47 Å. There is one shorter (2.66 Å) and one longer (3.16 Å) Y(1)-Y(2) bond length. There are a spread of Y(1)-Re(1) bond distances ranging from 2.95-3.90 Å. The Y(1)-Sb(1) bond length is 3.78 Å. In the second Y site, Y(2) is bonded in a distorted single-bond geometry to two equivalent Y(1), one Re(1), and one Sb(1) atom. The Y(2)-Re(1) bond length is 1.19 Å. The Y(2)-Sb(1) bond length is 0.28 Å. Re(1) is bonded in a single-bond geometry to one Y(2) and four equivalent Y(1) atoms. Sb(1) is bonded in a single-bond geometry to one Y(1) and one Y(2) atom.