data_[As6I5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [11.5386]
_cell_length_b [15.0000]
_cell_length_c [12.2365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5486]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [As6I5]
_chemical_formula_sum '[As6 I5]'
_cell_volume [2019.3169]
_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
[
  As  As0  1  0.0825  0.5000  0.9598  1
  As  As1  1  0.2189  0.5000  0.4486  1
  As  As2  1  0.2433  0.5000  0.6495  1
  As  As3  1  0.2526  0.5000  0.8854  1
  As  As4  1  0.4200  0.5000  0.4482  1
  As  As5  1  0.8806  0.5000  0.8365  1
  I  I6  1  0.0102  0.5000  0.6346  1
  I  I7  1  0.1183  0.5000  0.1798  1
  I  I8  1  0.4324  0.5000  0.0719  1
  I  I9  1  0.5362  0.5000  0.6667  1
  I  I10  1  0.7573  0.5000  0.9809  1
]