data_HfWCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   3.21
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   101.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfWCl2
_chemical_formula_sum   'Hf1 W1 Cl2'
_cell_volume   95.75
_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
  Hf  Hf2  1  0.28  0.0  0.48  1.0
  W  W3  1  0.32  0.61  0.32  1.0
  Cl  Cl0  1  0.31  0.0  0.44  1.0
  Cl  Cl1  1  0.85  0.61  0.95  1.0

data_HfWCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.99
_cell_length_c   7.61
_cell_angle_alpha   101.18
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfWCl2
_chemical_formula_sum   'Hf1 W1 Cl2'
_cell_volume   95.75
_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
  Hf  Hf0  1  0.0  0.72  0.52  1.0
  W  W1  1  0.39  0.68  0.68  1.0
  Cl  Cl2  1  0.0  0.69  0.56  1.0
  Cl  Cl3  1  0.39  0.15  0.05  1.0

Hf W Cl Cl