data_[As8S16]
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
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [14.3598]
_cell_length_b [4.2138]
_cell_length_c [12.5572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [AsS2]
_chemical_formula_sum '[As8 S16]'
_cell_volume [675.0555]
_cell_formula_units_Z [8]
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  0.1390  0.6197  0.4583  1.0
  As  As1  4  0.1740  0.5789  0.0430  1.0
  S  S2  4  0.0305  0.9147  0.9399  1.0
  S  S3  4  0.0780  0.9571  0.5607  1.0
  S  S4  4  0.1874  0.4455  0.8754  1.0
  S  S5  4  0.2113  0.9859  0.3751  1.0
]