data_Re2PW3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22
_cell_length_b   7.22
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2PW3
_chemical_formula_sum   'Re8 P4 W12'
_cell_volume   375.69
_cell_formula_units_Z   4
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  Re4  1  0.47  0.47  0.47  1.0
  Re  Re5  1  0.14  0.75  0.08  1.0
  Re  Re6  1  0.75  0.08  0.14  1.0
  Re  Re7  1  0.08  0.14  0.75  1.0
  Re  Re8  1  0.88  0.27  0.34  1.0
  Re  Re9  1  0.94  0.94  0.94  1.0
  Re  Re10  1  0.27  0.34  0.88  1.0
  Re  Re11  1  0.34  0.88  0.27  1.0
  P  P0  1  0.71  0.71  0.71  1.0
  P  P1  1  0.9  0.51  0.31  1.0
  P  P2  1  0.51  0.31  0.9  1.0
  P  P3  1  0.31  0.9  0.51  1.0
  W  W12  1  0.9  0.38  0.18  1.0
  W  W13  1  0.71  0.84  0.79  1.0
  W  W14  1  0.31  0.99  0.43  1.0
  W  W15  1  0.51  0.23  0.03  1.0
  W  W16  1  0.18  0.9  0.38  1.0
  W  W17  1  0.79  0.71  0.84  1.0
  W  W18  1  0.43  0.31  0.99  1.0
  W  W19  1  0.03  0.51  0.23  1.0
  W  W20  1  0.38  0.18  0.9  1.0
  W  W21  1  0.84  0.79  0.71  1.0
  W  W22  1  0.99  0.43  0.31  1.0
  W  W23  1  0.23  0.03  0.51  1.0

data_Re2PW3
_symmetry_space_group_name_H-M   R3
_cell_length_a   10.2
_cell_length_b   10.2
_cell_length_c   12.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Re2PW3
_chemical_formula_sum   'Re24 P12 W36'
_cell_volume   1127.06
_cell_formula_units_Z   12
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  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'
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  9  0.05  0.49  0.83  1.0
  Re  Re1  9  0.09  0.24  0.99  1.0
  Re  Re2  3  0.0  0.0  0.47  1.0
  Re  Re3  3  0.0  0.0  0.94  1.0
  P  P4  9  0.07  0.73  0.24  1.0
  P  P5  3  0.0  0.0  0.71  1.0
  W  W6  9  0.01  0.94  0.78  1.0
  W  W7  9  0.03  0.78  0.15  1.0
  W  W8  9  0.07  0.82  0.24  1.0
  W  W9  9  0.11  0.69  0.92  1.0

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