data_[As8S12]
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 [P2_1/c]
_cell_length_a [4.6006]
_cell_length_b [11.0070]
_cell_length_c [12.2598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [As2S3]
_chemical_formula_sum '[As8 S12]'
_cell_volume [576.6881]
_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  0.1362  0.1822  0.9801  1.0
  As  As1  4  0.4251  0.1900  0.2699  1.0
  S  S2  4  0.0944  0.6374  0.0945  1.0
  S  S3  4  0.3426  0.1270  0.8425  1.0
  S  S4  4  0.4435  0.7253  0.8775  1.0
]