data_PdWCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.2
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   95.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdWCl2
_chemical_formula_sum   'Pd1 W1 Cl2'
_cell_volume   67.64
_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  0.19  0.0  0.73  1.0
  Cl  Cl0  1  0.53  0.1  0.04  1.0
  Cl  Cl1  1  0.85  0.1  0.41  1.0

data_PdWCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.2
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   95.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdWCl2
_chemical_formula_sum   'Pd1 W1 Cl2'
_cell_volume   67.64
_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  0.19  0.0  0.73  1.0
  Cl  Cl2  1  0.53  0.1  0.04  1.0
  Cl  Cl3  1  0.85  0.1  0.41  1.0

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