data_[As6Cl22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.1410]
_cell_length_b [10.2618]
_cell_length_c [7.3407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [As3Cl11]
_chemical_formula_sum '[As6 Cl22]'
_cell_volume [960.1074]
_cell_formula_units_Z [2]
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  2  0.0907  0.5000  0.3030  1
  As  As1  2  0.2661  0.0000  0.5644  1
  As  As2  2  0.4716  0.5000  0.9086  1
  Cl  Cl3  4  0.0682  0.1647  0.8945  1
  Cl  Cl4  4  0.0783  0.3384  0.4859  1
  Cl  Cl5  4  0.2765  0.4026  0.0481  1
  Cl  Cl6  4  0.3045  0.1625  0.4158  1
  Cl  Cl7  2  0.0922  0.0000  0.3962  1
  Cl  Cl8  2  0.3553  0.5000  0.5861  1
  Cl  Cl9  2  0.4252  0.0000  0.0649  1
]