data_As2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   11.59
_cell_length_c   20.48
_cell_angle_alpha   90.0
_cell_angle_beta   93.12
_cell_angle_gamma   93.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2S3
_chemical_formula_sum   'As4 S6'
_cell_volume   1024.76
_cell_formula_units_Z   2
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  1  0.71  0.01  0.52  1.0
  As  As1  1  0.64  0.73  0.53  1.0
  As  As2  1  0.48  0.26  0.48  1.0
  As  As3  1  0.09  0.51  0.47  1.0
  S  S4  1  0.35  0.87  0.47  1.0
  S  S5  1  0.39  0.14  0.56  1.0
  S  S6  1  0.76  0.12  0.43  1.0
  S  S7  1  0.74  0.64  0.43  1.0
  S  S8  1  0.27  0.6  0.57  1.0
  S  S9  1  0.84  0.37  0.54  1.0

As As As As S S S S S S 0 4 o - o 0 5 o o o 0 6 o o o 1 8 o o o 1 4 o o o 1 7 o o o 2 5 o o o 2 6 o o o 2 9 o o o 3 9 - o o 3 7 - o o 3 8 o o o 
data_As2S3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   11.59
_cell_length_c   20.48
_cell_angle_alpha   90.0
_cell_angle_beta   93.12
_cell_angle_gamma   93.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2S3
_chemical_formula_sum   'As4 S6'
_cell_volume   1024.76
_cell_formula_units_Z   2
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  1  0.09  0.51  0.47  1.0
  As  As1  1  0.48  0.26  0.48  1.0
  As  As2  1  0.64  0.73  0.53  1.0
  As  As3  1  0.71  0.01  0.52  1.0
  S  S4  1  0.27  0.6  0.57  1.0
  S  S5  1  0.35  0.87  0.47  1.0
  S  S6  1  0.39  0.14  0.56  1.0
  S  S7  1  0.74  0.64  0.43  1.0
  S  S8  1  0.76  0.12  0.43  1.0
  S  S9  1  0.84  0.37  0.54  1.0
