data_[As4S8Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2725]
_cell_length_b [5.2764]
_cell_length_c [13.0409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AsS2Cl]
_chemical_formula_sum '[As4 S8 Cl4]'
_cell_volume [496.2122]
_cell_formula_units_Z [4]
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  0.2243  0.1953  0.3973  1.0
  S  S1  4  0.0291  0.6827  0.5268  1.0
  S  S2  4  0.4711  0.1881  0.0172  1.0
  Cl  Cl3  4  0.2344  0.5040  0.2819  1.0
]