data_PdWCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   125.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdWCl2
_chemical_formula_sum   'Pd1 W1 Cl2'
_cell_volume   70.17
_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
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.33  1.0
  Cl  Cl0  1  0.45  0.0  0.32  1.0
  Cl  Cl1  1  0.45  0.0  0.33  1.0

data_PdWCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   3.15
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdWCl2
_chemical_formula_sum   'Pd1 W1 Cl2'
_cell_volume   70.17
_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
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.0  0.33  1.0
  Cl  Cl2  1  0.0  0.45  0.32  1.0
  Cl  Cl3  1  0.0  0.45  0.33  1.0

Pd W Cl Cl
Pd W Cl Cl 0 0 + + o 0 0 o + o 0 0 + o o 0 3 - o o 0 3 o o o 0 2 - o o 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 