data_[W1I2Cl3]
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 [6.4475]
_cell_length_b [18.6603]
_cell_length_c [7.0700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [WI2Cl3]
_chemical_formula_sum '[W1 I2 Cl3]'
_cell_volume [792.0533]
_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  0.8534  0.5000  0.8183  1
  I  I1  2  0.0853  0.4019  0.0860  1
  Cl  Cl2  2  0.5692  0.4170  0.7297  1
  Cl  Cl3  1  0.9952  0.5000  0.5794  1
]