data_Re12Sb17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.06
_cell_length_b   9.06
_cell_length_c   9.06
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re12Sb17
_chemical_formula_sum   'Re12 Sb17'
_cell_volume   573.28
_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
  Re  Re0  1  0.28  0.82  0.28  1.0
  Re  Re1  1  0.95  0.05  0.95  1.0
  Re  Re2  1  0.05  0.41  0.95  1.0
  Re  Re3  1  0.95  0.41  0.05  1.0
  Re  Re4  1  0.05  0.95  0.41  1.0
  Re  Re5  1  0.95  0.05  0.41  1.0
  Re  Re6  1  0.95  0.95  0.05  1.0
  Re  Re7  1  0.28  0.28  0.82  1.0
  Re  Re8  1  0.41  0.95  0.05  1.0
  Re  Re9  1  0.41  0.05  0.95  1.0
  Re  Re10  1  0.82  0.28  0.28  1.0
  Re  Re11  1  0.05  0.95  0.95  1.0
  Sb  Sb12  1  0.53  0.8  0.53  1.0
  Sb  Sb13  1  0.7  0.57  0.7  1.0
  Sb  Sb14  1  0.53  0.67  0.47  1.0
  Sb  Sb15  1  0.47  0.67  0.53  1.0
  Sb  Sb16  1  0.53  0.47  0.67  1.0
  Sb  Sb17  1  0.47  0.53  0.67  1.0
  Sb  Sb18  1  0.7  0.7  0.57  1.0
  Sb  Sb19  1  0.53  0.53  0.8  1.0
  Sb  Sb20  1  0.67  0.47  0.53  1.0
  Sb  Sb21  1  0.67  0.53  0.47  1.0
  Sb  Sb22  1  0.8  0.53  0.53  1.0
  Sb  Sb23  1  0.57  0.7  0.7  1.0
  Sb  Sb24  1  0.63  0.37  0.63  1.0
  Sb  Sb25  1  0.6  0.6  0.6  1.0
  Sb  Sb26  1  0.63  0.63  0.37  1.0
  Sb  Sb27  1  0.37  0.63  0.63  1.0
  Sb  Sb28  1  0.0  0.0  0.0  1.0

data_Re12Sb17
_symmetry_space_group_name_H-M   R3m
_cell_length_a   14.8
_cell_length_b   14.8
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Re12Sb17
_chemical_formula_sum   'Re36 Sb51'
_cell_volume   1719.84
_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
  Re  Re0  18  0.15  0.39  0.8  1.0
  Re  Re1  9  0.03  0.51  0.79  1.0
  Re  Re2  9  0.07  0.03  0.99  1.0
  Sb  Sb3  18  0.11  0.02  0.56  1.0
  Sb  Sb4  9  0.04  0.09  0.66  1.0
  Sb  Sb5  9  0.09  0.17  0.54  1.0
  Sb  Sb6  9  0.18  0.09  0.62  1.0
  Sb  Sb7  3  0.0  0.0  -0.0  1.0
  Sb  Sb8  3  0.0  0.0  0.6  1.0

Re Re Re Re Re Re Re Re Re Re Re Re Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb