data_[W1I3Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  W  2.3600  1.3500  0.7667
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.1410]
_cell_length_b [18.8548]
_cell_length_c [6.8559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [W(ICl)3]
_chemical_formula_sum '[W1 I3 Cl3]'
_cell_volume [793.8255]
_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  0.3321  0.5000  0.1211  1
  I  I1  2  0.0831  0.3978  0.9573  1
  I  I2  1  0.0779  0.5000  0.4414  1
  Cl  Cl3  2  0.5543  0.4139  0.2584  1
  Cl  Cl4  1  0.5502  0.5000  0.8444  1
]