data_SbRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.3
_cell_length_b   8.3
_cell_length_c   8.3
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbRu2
_chemical_formula_sum   'Sb8 Ru16'
_cell_volume   403.76
_cell_formula_units_Z   8
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
  Sb  Sb16  1  0.6  1.0  1.0  1.0
  Sb  Sb17  1  1.0  0.6  1.0  1.0
  Sb  Sb18  1  1.0  1.0  0.6  1.0
  Sb  Sb19  1  0.6  0.6  0.6  1.0
  Sb  Sb20  1  0.06  0.67  0.67  1.0
  Sb  Sb21  1  0.67  0.06  0.67  1.0
  Sb  Sb22  1  0.67  0.67  0.06  1.0
  Sb  Sb23  1  0.06  0.06  0.06  1.0
  Ru  Ru0  1  0.47  0.47  0.47  1.0
  Ru  Ru1  1  0.4  0.4  0.47  1.0
  Ru  Ru2  1  0.4  0.47  0.4  1.0
  Ru  Ru3  1  0.47  0.4  0.4  1.0
  Ru  Ru4  1  0.87  0.87  0.78  1.0
  Ru  Ru5  1  0.87  0.78  0.87  1.0
  Ru  Ru6  1  0.96  0.87  0.87  1.0
  Ru  Ru7  1  0.78  0.87  0.87  1.0
  Ru  Ru8  1  0.87  0.96  0.87  1.0
  Ru  Ru9  1  0.87  0.87  0.96  1.0
  Ru  Ru10  1  0.8  0.8  0.89  1.0
  Ru  Ru11  1  0.8  0.89  0.8  1.0
  Ru  Ru12  1  0.71  0.8  0.8  1.0
  Ru  Ru13  1  0.89  0.8  0.8  1.0
  Ru  Ru14  1  0.8  0.71  0.8  1.0
  Ru  Ru15  1  0.8  0.8  0.71  1.0

data_SbRu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.3
_cell_length_b   8.3
_cell_length_c   20.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SbRu2
_chemical_formula_sum   'Sb24 Ru48'
_cell_volume   1211.29
_cell_formula_units_Z   24
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
  Sb  Sb0  9  0.07  0.54  0.87  1.0
  Sb  Sb1  9  0.2  0.4  0.8  1.0
  Sb  Sb2  3  0.0  0.0  0.4  1.0
  Sb  Sb3  3  0.0  0.0  0.94  1.0
  Ru  Ru4  9  0.02  0.04  0.58  1.0
  Ru  Ru5  9  0.03  0.06  0.17  1.0
  Ru  Ru6  9  0.03  0.06  0.1  1.0
  Ru  Ru7  9  0.06  0.03  0.16  1.0
  Ru  Ru8  9  0.06  0.03  0.23  1.0
  Ru  Ru9  3  0.0  0.0  0.53  1.0

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