data_AsS4N5F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.23
_cell_length_b   6.76
_cell_length_c   12.94
_cell_angle_alpha   90.0
_cell_angle_beta   95.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsS4N5F6
_chemical_formula_sum   'As4 S16 N20 F24'
_cell_volume   1064.15
_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  0.8  0.71  0.22  1.0
  As  As1  1  0.68  0.49  0.22  1.0
  As  As2  1  0.05  0.27  0.66  1.0
  As  As3  1  0.17  0.05  0.66  1.0
  S  S4  1  0.81  0.45  0.06  1.0
  S  S5  1  0.98  0.42  0.28  1.0
  S  S6  1  0.64  0.79  0.81  1.0
  S  S7  1  0.99  0.34  0.6  1.0
  S  S8  1  0.16  0.31  0.82  1.0
  S  S9  1  0.44  0.31  0.62  1.0
  S  S10  1  0.66  0.54  0.2  1.0
  S  S11  1  0.53  0.45  0.26  1.0
  S  S12  1  0.68  0.54  0.12  1.0
  S  S13  1  0.33  0.96  0.07  1.0
  S  S14  1  0.7  0.79  0.51  1.0
  S  S15  1  0.61  0.34  0.84  1.0
  S  S16  1  0.27  0.96  0.37  1.0
  S  S17  1  0.29  0.22  0.76  1.0
  S  S18  1  0.31  0.22  0.68  1.0
  S  S19  1  0.36  0.42  0.04  1.0
  N  N20  1  0.73  0.07  0.55  1.0
  N  N21  1  0.22  0.19  0.34  1.0
  N  N22  1  0.7  0.97  0.19  1.0
  N  N23  1  0.12  0.19  0.98  1.0
  N  N24  1  0.85  0.56  0.9  1.0
  N  N25  1  0.9  0.97  0.26  1.0
  N  N26  1  0.18  0.45  0.4  1.0
  N  N27  1  0.79  0.31  0.49  1.0
  N  N28  1  0.71  0.36  0.48  1.0
  N  N29  1  0.75  0.56  0.54  1.0
  N  N30  1  0.07  0.79  0.63  1.0
  N  N31  1  0.36  0.68  0.11  1.0
  N  N32  1  0.08  0.4  0.92  1.0
  N  N33  1  0.26  0.4  0.4  1.0
  N  N34  1  0.42  0.45  0.04  1.0
  N  N35  1  0.61  0.07  0.78  1.0
  N  N36  1  0.27  0.79  0.7  1.0
  N  N37  1  0.89  0.36  0.96  1.0
  N  N38  1  0.55  0.31  0.84  1.0
  N  N39  1  0.24  0.68  0.34  1.0
  F  F40  1  0.04  0.21  0.46  1.0
  F  F41  1  0.43  0.3  0.9  1.0
  F  F42  1  0.91  0.3  0.43  1.0
  F  F43  1  0.17  0.48  0.82  1.0
  F  F44  1  0.51  0.49  0.95  1.0
  F  F45  1  0.54  0.28  0.26  1.0
  F  F46  1  0.53  0.71  0.86  1.0
  F  F47  1  0.56  0.21  0.99  1.0
  F  F48  1  0.06  0.45  0.46  1.0
  F  F49  1  0.41  0.54  0.9  1.0
  F  F50  1  0.05  0.29  0.66  1.0
  F  F51  1  0.06  0.71  0.58  1.0
  F  F52  1  0.88  0.27  0.39  1.0
  F  F53  1  0.68  0.47  0.22  1.0
  F  F54  1  0.43  0.04  0.02  1.0
  F  F55  1  0.46  0.27  0.93  1.0
  F  F56  1  0.68  0.25  0.22  1.0
  F  F57  1  0.05  0.5  0.66  1.0
  F  F58  1  0.9  0.04  0.3  1.0
  F  F59  1  0.43  0.48  0.62  1.0
  F  F60  1  0.93  0.54  0.43  1.0
  F  F61  1  0.8  0.28  0.07  1.0
  F  F62  1  0.54  0.45  0.98  1.0
  F  F63  1  0.09  0.49  0.49  1.0

data_AsS4N5F6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.76
_cell_length_b   12.23
_cell_length_c   12.94
_cell_angle_alpha   95.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsS4N5F6
_chemical_formula_sum   'As4 S16 N20 F24'
_cell_volume   1064.15
_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  0.29  0.2  0.78  1.0
  As  As1  1  0.51  0.32  0.78  1.0
  As  As2  1  0.73  0.95  0.34  1.0
  As  As3  1  0.95  0.83  0.34  1.0
  S  S4  1  0.04  0.67  0.93  1.0
  S  S5  1  0.04  0.73  0.63  1.0
  S  S6  1  0.21  0.3  0.49  1.0
  S  S7  1  0.21  0.36  0.19  1.0
  S  S8  1  0.46  0.32  0.88  1.0
  S  S9  1  0.46  0.34  0.8  1.0
  S  S10  1  0.55  0.19  0.94  1.0
  S  S11  1  0.55  0.47  0.74  1.0
  S  S12  1  0.58  0.02  0.72  1.0
  S  S13  1  0.58  0.64  0.96  1.0
  S  S14  1  0.66  0.01  0.4  1.0
  S  S15  1  0.66  0.39  0.16  1.0
  S  S16  1  0.69  0.56  0.38  1.0
  S  S17  1  0.69  0.84  0.18  1.0
  S  S18  1  0.78  0.69  0.32  1.0
  S  S19  1  0.78  0.71  0.24  1.0
  N  N20  1  0.03  0.1  0.74  1.0
  N  N21  1  0.03  0.3  0.81  1.0
  N  N22  1  0.21  0.73  0.3  1.0
  N  N23  1  0.21  0.93  0.37  1.0
  N  N24  1  0.32  0.64  0.89  1.0
  N  N25  1  0.32  0.76  0.66  1.0
  N  N26  1  0.44  0.15  0.1  1.0
  N  N27  1  0.44  0.25  0.46  1.0
  N  N28  1  0.55  0.58  0.96  1.0
  N  N29  1  0.55  0.82  0.6  1.0
  N  N30  1  0.6  0.74  0.6  1.0
  N  N31  1  0.6  0.92  0.08  1.0
  N  N32  1  0.64  0.11  0.04  1.0
  N  N33  1  0.64  0.29  0.52  1.0
  N  N34  1  0.69  0.21  0.51  1.0
  N  N35  1  0.69  0.45  0.16  1.0
  N  N36  1  0.81  0.78  0.66  1.0
  N  N37  1  0.81  0.88  0.02  1.0
  N  N38  1  0.93  0.27  0.45  1.0
  N  N39  1  0.93  0.39  0.22  1.0
  F  F40  1  0.29  0.47  0.14  1.0
  F  F41  1  0.29  0.94  0.42  1.0
  F  F42  1  0.46  0.07  0.57  1.0
  F  F43  1  0.46  0.59  0.1  1.0
  F  F44  1  0.5  0.95  0.34  1.0
  F  F45  1  0.51  0.49  0.05  1.0
  F  F46  1  0.51  0.91  0.51  1.0
  F  F47  1  0.52  0.57  0.38  1.0
  F  F48  1  0.52  0.83  0.18  1.0
  F  F49  1  0.53  0.32  0.78  1.0
  F  F50  1  0.55  0.46  0.02  1.0
  F  F51  1  0.55  0.94  0.54  1.0
  F  F52  1  0.7  0.09  0.57  1.0
  F  F53  1  0.7  0.57  0.1  1.0
  F  F54  1  0.71  0.95  0.34  1.0
  F  F55  1  0.72  0.2  0.93  1.0
  F  F56  1  0.72  0.46  0.74  1.0
  F  F57  1  0.73  0.12  0.61  1.0
  F  F58  1  0.73  0.54  0.07  1.0
  F  F59  1  0.75  0.32  0.78  1.0
  F  F60  1  0.79  0.44  0.01  1.0
  F  F61  1  0.79  0.96  0.54  1.0
  F  F62  1  0.96  0.1  0.7  1.0
  F  F63  1  0.96  0.57  0.98  1.0

As As As As S S S S S S S S S S S S S S S S N N N N N N N N N N N N N N N N N N N N 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 S S S S S S S S S S S S N N N N N N N N N N N N N N N N N N N N 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 12 o o o 0 10 o o o 0 53 o o o 0 1 o o o 0 22 o o o 0 25 o o o 1 53 o o o 1 10 o o o 1 12 o o o 1 56 o o o 2 50 o o o 2 3 o o o 2 7 - o o 2 57 o o o 3 30 o - o 3 50 o o o 3 36 o - o 3 18 o o o 3 17 o o o 4 61 o o o 4 37 o o - 5 58 o o o 5 52 o o o 5 42 o o o 5 60 o o o 5 40 + o o 5 48 + o o 6 46 o o o 6 35 o + o 7 50 + o o 7 57 + o o 8 43 o o o 8 32 o o o 9 59 o o o 10 53 o o o 10 12 o o o 11 45 o o o 13 54 o + o 13 31 o o o 14 29 o o o 14 20 o + o 15 38 o o o 15 35 o o o 16 39 o o o 16 21 o + o 17 18 o o o 19 34 o o o 19 31 o o o 20 28 o o o 20 27 o o o 21 26 o o o 21 33 o o o 22 56 o + o 23 32 o o o 24 37 o o o 25 58 o + o 26 33 o o o 26 39 o o o 27 28 o o o 27 29 o o o 28 29 o o o 30 51 o o o 30 36 o o o 31 34 o o o 32 43 o o o 33 39 o o o 35 38 o o o 37 61 o o + 40 42 - o o 40 48 o o o 40 63 o o o 41 55 o o o 42 52 o o o 42 60 o o o 44 62 o o o 44 46 o o o 44 49 o o o 47 55 o o o 48 63 o o o 48 60 - o o 50 57 o o o 51 57 o o o 52 60 o o o 53 56 o o o 54 55 o o - 