data_[As6W6I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  W  2.3600  1.3500  0.7667
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.1273]
_cell_length_b [7.5194]
_cell_length_c [18.7700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AsWI]
_chemical_formula_sum '[As6 W6 I6]'
_cell_volume [1993.9053]
_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
[
  As  As0  4  0.3615  0.1883  0.6006  1
  As  As1  2  0.4073  0.5000  0.4096  1
  W  W2  4  0.3027  0.3334  0.4930  1
  W  W3  2  0.2485  0.0000  0.5231  1
  I  I4  4  0.1130  0.2560  0.4905  1
  I  I5  2  0.3418  0.0000  0.3997  1
]