data_AsSOF9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.17
_cell_length_b   7.45
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsSOF9
_chemical_formula_sum   'As4 S4 O4 F36'
_cell_volume   725.05
_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  1  0.44  0.59  0.16  1.0
  As  As1  1  0.15  0.86  0.81  1.0
  As  As2  1  0.73  0.86  0.55  1.0
  As  As3  1  0.03  0.59  0.9  1.0
  S  S4  1  0.4  0.86  0.26  1.0
  S  S5  1  0.19  0.59  0.91  1.0
  S  S6  1  0.78  0.59  0.45  1.0
  S  S7  1  0.99  0.86  0.8  1.0
  O  O8  1  0.58  0.86  0.13  1.0
  O  O9  1  0.17  0.86  0.92  1.0
  O  O10  1  0.59  0.59  0.57  1.0
  O  O11  1  0.0  0.59  0.78  1.0
  F  F12  1  0.64  0.59  0.41  1.0
  F  F13  1  0.51  0.6  0.36  1.0
  F  F14  1  0.7  0.59  0.69  1.0
  F  F15  1  0.82  0.71  0.84  1.0
  F  F16  1  0.08  0.85  0.71  1.0
  F  F17  1  0.98  0.86  0.78  1.0
  F  F18  1  0.35  0.74  0.86  1.0
  F  F19  1  1.0  0.11  0.7  1.0
  F  F20  1  0.76  0.34  0.05  1.0
  F  F21  1  0.19  0.59  0.92  1.0
  F  F22  1  0.76  0.84  0.05  1.0
  F  F23  1  0.35  0.44  0.86  1.0
  F  F24  1  0.54  0.86  0.3  1.0
  F  F25  1  0.82  0.02  0.84  1.0
  F  F26  1  0.13  0.86  0.05  1.0
  F  F27  1  0.08  0.33  0.71  1.0
  F  F28  1  1.0  0.61  0.7  1.0
  F  F29  1  0.09  0.6  0.99  1.0
  F  F30  1  0.05  0.59  0.65  1.0
  F  F31  1  0.41  0.11  0.65  1.0
  F  F32  1  0.09  0.12  0.99  1.0
  F  F33  1  0.51  0.12  0.36  1.0
  F  F34  1  0.78  0.59  0.13  1.0
  F  F35  1  0.88  0.86  0.04  1.0
  F  F36  1  0.94  0.44  0.49  1.0
  F  F37  1  0.41  0.61  0.65  1.0
  F  F38  1  0.29  0.59  0.66  1.0
  F  F39  1  0.23  0.02  0.22  1.0
  F  F40  1  0.67  0.85  0.34  1.0
  F  F41  1  0.18  0.84  0.0  1.0
  F  F42  1  0.47  0.86  0.02  1.0
  F  F43  1  0.23  0.71  0.22  1.0
  F  F44  1  0.4  0.86  0.57  1.0
  F  F45  1  0.18  0.34  0.0  1.0
  F  F46  1  0.67  0.33  0.34  1.0
  F  F47  1  0.94  0.74  0.49  1.0

data_AsSOF9
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.45
_cell_length_b   8.7
_cell_length_c   11.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AsSOF9
_chemical_formula_sum   'As4 S4 O4 F36'
_cell_volume   725.05
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.36  0.55  0.94  1.0
  As  As1  2  0.36  0.81  0.35  1.0
  S  S2  2  0.36  0.09  0.69  1.0
  S  S3  2  0.36  0.55  0.1  1.0
  O  O4  2  0.36  0.22  0.5  1.0
  O  O5  2  0.36  0.43  0.92  1.0
  F  F6  2  0.1  0.36  0.99  1.0
  F  F7  2  0.1  0.99  0.58  1.0
  F  F8  2  0.11  0.65  0.09  1.0
  F  F9  2  0.11  0.7  0.68  1.0
  F  F10  2  0.21  0.14  0.85  1.0
  F  F11  2  0.21  0.51  0.27  1.0
  F  F12  2  0.36  0.05  0.55  1.0
  F  F13  2  0.36  0.3  0.96  1.0
  F  F14  2  0.36  0.31  0.2  1.0
  F  F15  2  0.36  0.34  0.62  1.0
  F  F16  2  0.36  0.57  0.1  1.0
  F  F17  2  0.36  0.78  0.69  1.0
  F  F18  2  0.38  0.64  0.01  1.0
  F  F19  2  0.38  0.01  0.42  1.0
  F  F20  2  0.39  0.3  0.32  1.0
  F  F21  2  0.39  0.35  0.91  1.0
  F  F22  2  0.48  0.49  0.73  1.0
  F  F23  2  0.48  0.86  0.15  1.0

As As As As S S S S O O O O F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
As As As As S S S S O O O O F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F 0 4 o o o 0 42 o o o 0 13 o o o 0 43 o o o 1 16 o o o 1 9 o o o 1 18 o o o 2 40 o o o 2 14 o o o 2 6 o o o 2 47 o o o 3 11 o o o 3 29 o o o 3 15 - o o 4 24 o o o 4 33 o + o 4 39 o + o 4 43 o o o 5 21 o o o 5 18 o o o 5 23 o o o 5 29 o o o 5 45 o o + 6 12 o o o 6 36 o o o 6 46 o o o 6 47 o o o 7 17 o o o 7 15 o o o 7 16 + o o 7 19 o + o 7 25 o + o 8 42 o o o 8 24 o o o 9 41 o o + 9 18 o o o 9 32 o + o 10 12 o o o 10 14 o o o 11 28 - o o 11 15 - o o 11 27 o o o 12 13 o o o 12 46 o o o 14 15 o o o 15 22 o o + 15 28 o o o 15 17 o o o 15 25 o + o 15 35 o o + 16 17 - o o 16 19 - + o 16 47 - o o 17 19 o + o 17 25 o + o 18 38 o o o 18 21 o o o 18 41 o o + 18 37 o o o 18 23 o o o 18 42 o o + 19 27 + o o 19 25 o o o 20 34 o o o 21 23 o o o 21 29 o o o 21 45 o o + 22 35 o o o 22 25 o + - 22 34 o o o 23 45 o o + 23 38 o o o 23 37 o o o 24 40 o o o 24 33 o + o 25 35 o - + 26 41 o o o 26 32 o + - 26 39 o + o 26 43 o o o 27 30 o o o 27 28 - o o 27 36 - o o 28 30 + o o 28 36 o o o 28 47 o o o 29 43 o o + 29 45 o o + 30 36 - o o 30 47 - o o 31 44 o - o 32 41 o - + 32 45 o o + 32 39 o o + 33 46 o o o 36 47 o o o 37 38 o o o 37 44 o o o 39 41 o - o 39 43 o - o 41 43 o o o 