data_Y5Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   6.48
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y5Sb
_chemical_formula_sum   'Y5 Sb1'
_cell_volume   192.33
_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  0.0  0.0  0.0  1.0
  Y  Y2  1  0.43  0.43  0.43  1.0
  Y  Y3  1  0.73  0.73  0.43  1.0
  Y  Y4  1  0.43  0.73  0.73  1.0
  Y  Y5  1  0.73  0.43  0.73  1.0
  Sb  Sb0  1  0.87  0.87  0.87  1.0

data_Y5Sb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   15.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y5Sb
_chemical_formula_sum   'Y15 Sb3'
_cell_volume   576.98
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.2  0.1  0.37  1.0
  Y  Y1  3  0.0  0.0  0.0  1.0
  Y  Y2  3  0.0  0.0  0.57  1.0
  Sb  Sb3  3  0.0  0.0  0.13  1.0

Y Y Y Y Y Sb
Y Y Y Y Y Sb 0 5 - - - 0 1 o o - 0 1 o - o 0 1 - o o 1 3 o - o 1 3 o o - 1 3 o o o 1 4 - o o 1 4 o o - 1 4 o o o 1 2 - o o 1 2 o - o 1 2 o o o 1 5 - o o 1 5 o - o 1 5 o o - 2 4 o o o 2 3 o o o 3 4 o o o 
Y5Sb crystallizes in the trigonal R3m space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a single-bond geometry to three equivalent Y(2), three equivalent Y(3), and one Sb(1) atom. All Y(1)-Y(2) bond lengths are 4.04 Å. All Y(1)-Y(3) bond lengths are 2.66 Å. The Y(1)-Sb(1) bond length is 2.03 Å. In the second Y site, Y(2) is bonded in a 15-coordinate geometry to three equivalent Y(1), nine equivalent Y(3), and three equivalent Sb(1) atoms. There are three shorter (3.43 Å) and six longer (3.91 Å) Y(2)-Y(3) bond lengths. All Y(2)-Sb(1) bond lengths are 4.13 Å. In the third Y site, Y(3) is bonded in a 4-coordinate geometry to one Y(1), two equivalent Y(3), three equivalent Y(2), and one Sb(1) atom. Both Y(3)-Y(3) bond lengths are 1.98 Å. The Y(3)-Sb(1) bond length is 2.99 Å. Sb(1) is bonded in a single-bond geometry to one Y(1), three equivalent Y(2), and three equivalent Y(3) atoms.