data_[As1Cl11]
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 [P-1]
_cell_length_a [7.4941]
_cell_length_b [7.6159]
_cell_length_c [8.1451]
_cell_angle_alpha [87.0417]
_cell_angle_beta [63.7890]
_cell_angle_gamma [87.3267]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AsCl11]
_chemical_formula_sum '[As1 Cl11]'
_cell_volume [416.3682]
_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  0.5000  0.5000  0.5000  1.0
  Cl  Cl1  2  0.1087  0.0466  0.2161  1.0
  Cl  Cl2  2  0.1671  0.5139  0.6138  1.0
  Cl  Cl3  2  0.3115  0.8260  0.2115  1.0
  Cl  Cl4  2  0.4607  0.4060  0.8005  1.0
  Cl  Cl5  2  0.4989  0.7795  0.5755  1.0
  Cl  Cl6  1  0.0000  0.0000  0.0000  1.0
]