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 [P-1]
_cell_length_a [5.9182]
_cell_length_b [9.0829]
_cell_length_c [11.1082]
_cell_angle_alpha [81.1164]
_cell_angle_beta [79.6257]
_cell_angle_gamma [89.9585]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [As2S3]
_chemical_formula_sum '[As8 S12]'
_cell_volume [580.0832]
_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  2  0.0521  0.1470  0.3237  1.0
  As  As1  2  0.1406  0.8270  0.1735  1.0
  As  As2  2  0.4029  0.6739  0.8261  1.0
  As  As3  2  0.4148  0.3538  0.6784  1.0
  S  S4  2  0.0623  0.0751  0.1332  1.0
  S  S5  2  0.0830  0.2585  0.6370  1.0
  S  S6  2  0.2274  0.3778  0.2527  1.0
  S  S7  2  0.2962  0.4259  0.8689  1.0
  S  S8  2  0.3070  0.7564  0.6361  1.0
  S  S9  2  0.4585  0.8776  0.2513  1.0
]