data_[As8S8]
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_12_12_1]
_cell_length_a [5.8264]
_cell_length_b [9.1616]
_cell_length_c [11.0400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [AsS]
_chemical_formula_sum '[As8 S8]'
_cell_volume [589.3053]
_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  0.1503  0.3217  0.3002  1.0
  As  As1  4  0.2086  0.6902  0.2591  1.0
  S  S2  4  0.1602  0.4851  0.1433  1.0
  S  S3  4  0.2019  0.8616  0.1134  1.0
]