data_[W1Se6I1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9144]
_cell_length_b [8.2748]
_cell_length_c [8.2787]
_cell_angle_alpha [92.9340]
_cell_angle_beta [98.3726]
_cell_angle_gamma [98.4953]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [WSe6ICl6]
_chemical_formula_sum '[W1 Se6 I1 Cl6]'
_cell_volume [462.1944]
_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
[
  W  W0  1  0.5000  0.5000  0.5000  1.0
  Se  Se1  2  0.0205  0.8683  0.2223  1.0
  Se  Se2  2  0.0614  0.2688  0.0352  1.0
  Se  Se3  2  0.1430  0.8898  0.7960  1.0
  I  I4  1  0.5000  0.0000  0.0000  1.0
  Cl  Cl5  2  0.1864  0.5283  0.3576  1.0
  Cl  Cl6  2  0.3843  0.5327  0.7486  1.0
  Cl  Cl7  2  0.3998  0.2160  0.4934  1.0
]