data_Y17Sb12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.24
_cell_length_b   10.24
_cell_length_c   10.24
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y17Sb12
_chemical_formula_sum   'Y17 Sb12'
_cell_volume   826.05
_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  Y12  1  0.75  0.63  0.75  1.0
  Y  Y13  1  0.16  0.72  0.16  1.0
  Y  Y14  1  0.75  0.19  0.25  1.0
  Y  Y15  1  0.25  0.19  0.75  1.0
  Y  Y16  1  0.75  0.25  0.19  1.0
  Y  Y17  1  0.25  0.75  0.19  1.0
  Y  Y18  1  0.16  0.16  0.72  1.0
  Y  Y19  1  0.75  0.75  0.63  1.0
  Y  Y20  1  0.19  0.25  0.75  1.0
  Y  Y21  1  0.19  0.75  0.25  1.0
  Y  Y22  1  0.63  0.75  0.75  1.0
  Y  Y23  1  0.72  0.16  0.16  1.0
  Y  Y24  1  0.71  0.29  0.71  1.0
  Y  Y25  1  0.2  0.2  0.2  1.0
  Y  Y26  1  0.71  0.71  0.29  1.0
  Y  Y27  1  0.29  0.71  0.71  1.0
  Y  Y28  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.83  0.74  0.83  1.0
  Sb  Sb1  1  0.08  0.65  0.08  1.0
  Sb  Sb2  1  0.92  0.17  0.08  1.0
  Sb  Sb3  1  0.08  0.17  0.92  1.0
  Sb  Sb4  1  0.92  0.08  0.17  1.0
  Sb  Sb5  1  0.08  0.92  0.17  1.0
  Sb  Sb6  1  0.08  0.08  0.65  1.0
  Sb  Sb7  1  0.83  0.83  0.74  1.0
  Sb  Sb8  1  0.17  0.08  0.92  1.0
  Sb  Sb9  1  0.17  0.92  0.08  1.0
  Sb  Sb10  1  0.74  0.83  0.83  1.0
  Sb  Sb11  1  0.65  0.08  0.08  1.0

data_Y17Sb12
_symmetry_space_group_name_H-M   R3m
_cell_length_a   16.72
_cell_length_b   16.72
_cell_length_c   10.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y17Sb12
_chemical_formula_sum   'Y51 Sb36'
_cell_volume   2478.14
_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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  18  0.02  0.48  0.73  1.0
  Y  Y1  9  0.04  0.52  0.68  1.0
  Y  Y2  9  0.04  0.08  0.71  1.0
  Y  Y3  9  0.05  0.53  0.24  1.0
  Y  Y4  3  0.0  0.0  0.0  1.0
  Y  Y5  3  0.0  0.0  0.2  1.0
  Sb  Sb6  18  0.03  0.14  0.06  1.0
  Sb  Sb7  9  0.03  0.06  0.8  1.0
  Sb  Sb8  9  0.05  0.52  0.61  1.0

Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb
Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb 0 17 o o o 0 12 o o o 1 18 o o o 1 5 o o o 1 9 o o o 2 11 o o o 3 6 o o o 4 11 o o o 6 23 o o o 6 8 o o o 7 24 o o o 7 14 o o o 10 27 o o o 10 15 o o o 11 28 o o o 12 17 o o o 12 18 + o + 13 16 o o o 13 20 o o - 13 19 - o o 13 21 - o o 13 25 o o - 13 26 o - o 13 22 o - o 14 23 + + o 14 24 o o o 15 27 o o o 15 28 o + + 16 27 - - - 16 24 - - - 16 17 - - - 16 20 o o - 16 21 - o o 16 19 - o o 16 26 o - o 16 22 o - o 16 25 o o - 19 21 o o o 20 25 o o o 22 26 o o o 