# generated using pymatgen
data_WCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.64287729
_cell_length_b   12.64316405
_cell_length_c   6.23131208
_cell_angle_alpha   85.73136313
_cell_angle_beta   85.73214913
_cell_angle_gamma   90.64601615
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WCl5
_chemical_formula_sum   'W6 Cl30'
_cell_volume   990.39118674
_cell_formula_units_Z   6
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
  W  W0  1  0.77307904  0.56018267  0.43321489  1.0
  W  W1  1  0.43983396  0.22686792  0.56682791  1.0
  W  W2  1  0.22692096  0.43981733  0.56678511  1.0
  W  W3  1  0.56016604  0.77313208  0.43317209  1.0
  W  W4  1  0.10643241  0.89359253  -0.00001320  1.0
  W  W5  1  0.89356759  0.10640747  0.00001320  1.0
  Cl  Cl6  1  0.68202076  0.49357140  0.17247498  1.0
  Cl  Cl7  1  0.50644489  0.31794033  0.82753631  1.0
  Cl  Cl8  1  0.31797924  0.50642860  0.82752502  1.0
  Cl  Cl9  1  0.49355511  0.68205967  0.17246369  1.0
  Cl  Cl10  1  0.78363771  0.40105976  0.62250095  1.0
  Cl  Cl11  1  0.59895646  0.21628836  0.37756978  1.0
  Cl  Cl12  1  0.92469936  0.92468283  0.86519452  1.0
  Cl  Cl13  1  0.07530064  0.07531717  0.13480548  1.0
  Cl  Cl14  1  0.73208351  0.11416755  0.86511449  1.0
  Cl  Cl15  1  0.88573543  0.26788014  0.13491231  1.0
  Cl  Cl16  1  0.26791649  0.88583245  0.13488551  1.0
  Cl  Cl17  1  0.11426457  0.73211986  0.86508769  1.0
  Cl  Cl18  1  0.83053391  0.01841717  0.31439481  1.0
  Cl  Cl19  1  0.98155333  0.16947738  0.68565050  1.0
  Cl  Cl20  1  0.16946609  0.98158283  0.68560519  1.0
  Cl  Cl21  1  0.01844667  0.83052262  0.31434950  1.0
  Cl  Cl22  1  0.73980717  0.73982167  0.24688514  1.0
  Cl  Cl23  1  0.26019283  0.26017833  0.75311486  1.0
  Cl  Cl24  1  0.54997150  0.93254639  0.24462362  1.0
  Cl  Cl25  1  0.06749714  0.45006004  0.75530089  1.0
  Cl  Cl26  1  0.45002850  0.06745361  0.75537638  1.0
  Cl  Cl27  1  0.93250286  0.54993996  0.24469911  1.0
  Cl  Cl28  1  0.65180177  0.83965511  0.69339051  1.0
  Cl  Cl29  1  0.16035785  0.34818747  0.30660611  1.0
  Cl  Cl30  1  0.34819823  0.16034489  0.30660949  1.0
  Cl  Cl31  1  0.83964215  0.65181253  0.69339389  1.0
  Cl  Cl32  1  0.59337811  0.59341616  0.61897805  1.0
  Cl  Cl33  1  0.40662189  0.40658384  0.38102195  1.0
  Cl  Cl34  1  0.40104354  0.78371164  0.62243022  1.0
  Cl  Cl35  1  0.21636229  0.59894024  0.37749905  1.0