# generated using pymatgen
data_WCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.73576275
_cell_length_b   10.73576202
_cell_length_c   5.82133934
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999901
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WCl6
_chemical_formula_sum   'W3 Cl18'
_cell_volume   581.05779763
_cell_formula_units_Z   3
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  0.66666700  0.33333300  0.52968203  1.0
  W  W1  1  0.33333300  0.66666700  0.47031797  1.0
  W  W2  1  0.00000000  0.00000000  -0.00000000  1.0
  Cl  Cl3  1  0.23259625  0.76740375  0.69793071  1.0
  Cl  Cl4  1  0.23259625  0.46519150  0.69793071  1.0
  Cl  Cl5  1  0.53480850  0.76740375  0.69793071  1.0
  Cl  Cl6  1  0.10081209  0.89918791  0.22708732  1.0
  Cl  Cl7  1  0.10081209  0.20162519  0.22708732  1.0
  Cl  Cl8  1  0.79837481  0.89918791  0.22708732  1.0
  Cl  Cl9  1  0.20162519  0.10081209  0.77291268  1.0
  Cl  Cl10  1  0.89918791  0.79837481  0.77291268  1.0
  Cl  Cl11  1  0.89918791  0.10081209  0.77291268  1.0
  Cl  Cl12  1  0.43399395  0.56600605  0.24253527  1.0
  Cl  Cl13  1  0.43399395  0.86798691  0.24253527  1.0
  Cl  Cl14  1  0.13201309  0.56600605  0.24253527  1.0
  Cl  Cl15  1  0.86798691  0.43399395  0.75746473  1.0
  Cl  Cl16  1  0.56600605  0.13201309  0.75746473  1.0
  Cl  Cl17  1  0.56600605  0.43399395  0.75746473  1.0
  Cl  Cl18  1  0.76740375  0.23259625  0.30206929  1.0
  Cl  Cl19  1  0.76740375  0.53480850  0.30206929  1.0
  Cl  Cl20  1  0.46519150  0.23259625  0.30206929  1.0