data_PdW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.44
_cell_length_b   9.44
_cell_length_c   9.44
_cell_angle_alpha   163.61
_cell_angle_beta   153.81
_cell_angle_gamma   31.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdW2
_chemical_formula_sum   'Pd2 W4'
_cell_volume   104.87
_cell_formula_units_Z   2
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  0.07  0.22  1.0
  Pd  Pd1  1  0.35  0.07  0.88  1.0
  W  W2  1  0.0  0.07  0.71  1.0
  W  W3  1  0.0  0.07  0.38  1.0
  W  W4  1  0.35  0.07  0.72  1.0
  W  W5  1  0.35  0.07  0.39  1.0

data_PdW2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.69
_cell_length_b   4.28
_cell_length_c   9.44
_cell_angle_alpha   103.09
_cell_angle_beta   98.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PdW2
_chemical_formula_sum   'Pd2 W4'
_cell_volume   104.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.34  0.17  0.34  1.0
  W  W1  2  0.17  0.34  0.17  1.0
  W  W2  2  0.5  0.67  0.5  1.0

Pd Pd W W W W