data_Rh17W12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.35
_cell_length_b   8.35
_cell_length_c   8.35
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rh17W12
_chemical_formula_sum   'Rh17 W12'
_cell_volume   448.17
_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
  Rh  Rh0  1  0.63  0.26  0.37  1.0
  Rh  Rh1  1  0.37  0.26  0.63  1.0
  Rh  Rh2  1  0.37  0.38  0.37  1.0
  Rh  Rh3  1  0.45  0.56  0.45  1.0
  Rh  Rh4  1  0.26  0.63  0.37  1.0
  Rh  Rh5  1  0.26  0.37  0.63  1.0
  Rh  Rh6  1  0.56  0.45  0.45  1.0
  Rh  Rh7  1  0.38  0.37  0.37  1.0
  Rh  Rh8  1  0.45  0.45  0.56  1.0
  Rh  Rh9  1  0.37  0.37  0.38  1.0
  Rh  Rh10  1  0.63  0.37  0.26  1.0
  Rh  Rh11  1  0.37  0.63  0.26  1.0
  Rh  Rh12  1  0.24  0.24  0.76  1.0
  Rh  Rh13  1  0.76  0.24  0.24  1.0
  Rh  Rh14  1  0.58  0.58  0.58  1.0
  Rh  Rh15  1  0.24  0.76  0.24  1.0
  Rh  Rh16  1  0.0  0.0  0.0  1.0
  W  W17  1  0.88  0.79  0.12  1.0
  W  W18  1  0.12  0.79  0.88  1.0
  W  W19  1  0.94  0.03  0.94  1.0
  W  W20  1  0.88  0.85  0.88  1.0
  W  W21  1  0.79  0.88  0.12  1.0
  W  W22  1  0.79  0.12  0.88  1.0
  W  W23  1  0.85  0.88  0.88  1.0
  W  W24  1  0.03  0.94  0.94  1.0
  W  W25  1  0.88  0.88  0.85  1.0
  W  W26  1  0.94  0.94  0.03  1.0
  W  W27  1  0.88  0.12  0.79  1.0
  W  W28  1  0.12  0.88  0.79  1.0

data_Rh17W12
_symmetry_space_group_name_H-M   R3m
_cell_length_a   13.64
_cell_length_b   13.64
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Rh17W12
_chemical_formula_sum   'Rh51 W36'
_cell_volume   1344.52
_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
  Rh  Rh0  18  0.17  0.46  0.09  1.0
  Rh  Rh1  9  0.01  0.0  0.37  1.0
  Rh  Rh2  9  0.01  0.51  0.75  1.0
  Rh  Rh3  9  0.07  0.04  0.49  1.0
  Rh  Rh4  3  0.0  0.0  0.0  1.0
  Rh  Rh5  3  0.0  0.0  0.58  1.0
  W  W6  18  0.18  0.05  0.93  1.0
  W  W7  9  0.01  0.02  0.87  1.0
  W  W8  9  0.06  0.03  0.97  1.0

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