data_P12W17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26
_cell_length_b   8.26
_cell_length_c   8.26
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P12W17
_chemical_formula_sum   'P12 W17'
_cell_volume   433.48
_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
  P  P0  1  0.92  0.98  0.08  1.0
  P  P1  1  0.08  0.98  0.92  1.0
  P  P2  1  0.85  0.79  0.85  1.0
  P  P3  1  0.92  0.56  0.92  1.0
  P  P4  1  0.98  0.92  0.08  1.0
  P  P5  1  0.98  0.08  0.92  1.0
  P  P6  1  0.56  0.92  0.92  1.0
  P  P7  1  0.79  0.85  0.85  1.0
  P  P8  1  0.92  0.92  0.56  1.0
  P  P9  1  0.85  0.85  0.79  1.0
  P  P10  1  0.92  0.08  0.98  1.0
  P  P11  1  0.08  0.92  0.98  1.0
  W  W12  1  0.66  0.36  0.34  1.0
  W  W13  1  0.34  0.36  0.66  1.0
  W  W14  1  0.34  0.17  0.34  1.0
  W  W15  1  0.43  0.41  0.43  1.0
  W  W16  1  0.36  0.66  0.34  1.0
  W  W17  1  0.36  0.34  0.66  1.0
  W  W18  1  0.41  0.43  0.43  1.0
  W  W19  1  0.17  0.34  0.34  1.0
  W  W20  1  0.43  0.43  0.41  1.0
  W  W21  1  0.34  0.34  0.17  1.0
  W  W22  1  0.66  0.34  0.36  1.0
  W  W23  1  0.34  0.66  0.36  1.0
  W  W24  1  0.25  0.25  0.75  1.0
  W  W25  1  0.75  0.25  0.25  1.0
  W  W26  1  0.51  0.51  0.51  1.0
  W  W27  1  0.25  0.75  0.25  1.0
  W  W28  1  0.0  0.0  0.0  1.0

data_P12W17
_symmetry_space_group_name_H-M   R3m
_cell_length_a   13.48
_cell_length_b   13.48
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   P12W17
_chemical_formula_sum   'P36 W51'
_cell_volume   1300.45
_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
  P  P0  18  0.09  0.02  0.99  1.0
  P  P1  9  0.02  0.04  0.83  1.0
  P  P2  9  0.09  0.55  0.47  1.0
  W  W3  18  0.21  0.09  0.45  1.0
  W  W4  9  0.01  0.02  0.42  1.0
  W  W5  9  0.05  0.11  0.28  1.0
  W  W6  9  0.17  0.34  0.08  1.0
  W  W7  3  0.0  0.0  0.0  1.0
  W  W8  3  0.0  0.0  0.51  1.0

P P P P P P P P P P P P W W W W W W W W W W W W W W W W W