data_PdW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88
_cell_length_b   7.88
_cell_length_c   2.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdW2
_chemical_formula_sum   'Pd3 W6'
_cell_volume   142.86
_cell_formula_units_Z   3
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
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.55  0.33  1.0
  Pd  Pd2  1  0.94  0.28  0.33  1.0
  W  W3  1  0.77  0.13  0.33  1.0
  W  W4  1  0.46  0.4  0.0  1.0
  W  W5  1  0.46  0.0  0.33  1.0
  W  W6  1  0.71  0.7  0.33  1.0
  W  W7  1  0.08  0.0  0.0  1.0
  W  W8  1  0.4  0.42  0.0  1.0

data_PdW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   7.88
_cell_length_c   7.88
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdW2
_chemical_formula_sum   'Pd3 W6'
_cell_volume   142.86
_cell_formula_units_Z   3
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
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.33  0.0  0.55  1.0
  Pd  Pd2  1  0.33  0.94  0.28  1.0
  W  W3  1  0.0  0.08  0.0  1.0
  W  W4  1  0.0  0.4  0.42  1.0
  W  W5  1  0.0  0.46  0.4  1.0
  W  W6  1  0.33  0.46  0.0  1.0
  W  W7  1  0.33  0.71  0.7  1.0
  W  W8  1  0.33  0.77  0.13  1.0

Pd Pd Pd W W W W W W
Pd Pd Pd W W W W W W 0 7 o o o 0 6 - - o 0 6 - - - 1 2 - o o 1 6 - o o 2 3 o o o 3 5 o o o 4 8 o o o 4 6 o o o 4 6 o o - 5 5 o o + 6 8 o o o 6 8 o o + 6 7 + + o 6 6 o o + 