data_Sb3As2S14(IF8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.47
_cell_length_b   9.55
_cell_length_c   13.47
_cell_angle_alpha   71.6
_cell_angle_beta   85.05
_cell_angle_gamma   85.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb3As2S14(IF8)3
_chemical_formula_sum   'Sb3 As2 S14 I3 F24'
_cell_volume   1027.79
_cell_formula_units_Z   1
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
  Sb  Sb0  1  0.91  0.83  0.47  1.0
  Sb  Sb1  1  0.51  0.86  0.28  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.58  0.2  0.04  1.0
  As  As4  1  0.83  0.48  0.71  1.0
  S  S5  1  0.24  0.78  0.84  1.0
  S  S6  1  0.6  0.93  0.04  1.0
  S  S7  1  0.81  0.75  0.71  1.0
  S  S8  1  0.64  0.43  0.73  1.0
  S  S9  1  0.77  0.25  0.03  1.0
  S  S10  1  0.94  0.36  0.05  1.0
  S  S11  1  0.65  0.23  0.88  1.0
  S  S12  1  0.8  0.62  0.12  1.0
  S  S13  1  0.17  0.91  0.91  1.0
  S  S14  1  0.76  0.45  0.87  1.0
  S  S15  1  0.47  0.32  0.7  1.0
  S  S16  1  0.61  0.06  0.63  1.0
  S  S17  1  0.28  0.03  0.68  1.0
  S  S18  1  0.13  0.65  0.07  1.0
  I  I19  1  0.72  0.84  0.97  1.0
  I  I20  1  0.97  0.84  0.38  1.0
  I  I21  1  0.69  0.84  0.78  1.0
  F  F22  1  0.54  0.56  0.58  1.0
  F  F23  1  0.79  0.73  0.25  1.0
  F  F24  1  0.02  0.75  0.82  1.0
  F  F25  1  0.05  0.93  0.7  1.0
  F  F26  1  0.89  0.26  0.76  1.0
  F  F27  1  0.63  0.8  0.74  1.0
  F  F28  1  0.62  0.96  0.5  1.0
  F  F29  1  0.36  0.75  0.05  1.0
  F  F30  1  0.11  0.61  0.41  1.0
  F  F31  1  0.53  0.43  0.99  1.0
  F  F32  1  0.04  0.24  0.28  1.0
  F  F33  1  0.21  0.57  0.92  1.0
  F  F34  1  0.07  0.05  0.53  1.0
  F  F35  1  0.37  0.45  0.47  1.0
  F  F36  1  0.03  0.03  0.3  1.0
  F  F37  1  0.2  0.11  0.83  1.0
  F  F38  1  0.34  0.63  0.22  1.0
  F  F39  1  0.31  0.07  0.34  1.0
  F  F40  1  0.22  0.88  0.39  1.0
  F  F41  1  0.87  0.12  0.17  1.0
  F  F42  1  0.78  0.88  0.01  1.0
  F  F43  1  0.39  0.93  0.93  1.0
  F  F44  1  0.39  0.65  0.45  1.0
  F  F45  1  0.19  0.81  0.36  1.0

data_Sb3As2S14(IF8)3
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.47
_cell_length_b   9.55
_cell_length_c   13.47
_cell_angle_alpha   71.6
_cell_angle_beta   85.05
_cell_angle_gamma   85.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb3As2S14(IF8)3
_chemical_formula_sum   'Sb3 As2 S14 I3 F24'
_cell_volume   1027.79
_cell_formula_units_Z   1
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
  Sb  Sb0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.51  0.86  0.28  1.0
  Sb  Sb2  1  0.91  0.83  0.47  1.0
  As  As3  1  0.58  0.2  0.04  1.0
  As  As4  1  0.83  0.48  0.71  1.0
  S  S5  1  0.13  0.65  0.07  1.0
  S  S6  1  0.17  0.91  0.91  1.0
  S  S7  1  0.24  0.78  0.84  1.0
  S  S8  1  0.28  0.03  0.68  1.0
  S  S9  1  0.47  0.32  0.7  1.0
  S  S10  1  0.6  0.93  0.04  1.0
  S  S11  1  0.61  0.06  0.63  1.0
  S  S12  1  0.64  0.43  0.73  1.0
  S  S13  1  0.65  0.23  0.88  1.0
  S  S14  1  0.76  0.45  0.87  1.0
  S  S15  1  0.77  0.25  0.03  1.0
  S  S16  1  0.8  0.62  0.12  1.0
  S  S17  1  0.81  0.75  0.71  1.0
  S  S18  1  0.94  0.36  0.05  1.0
  I  I19  1  0.69  0.84  0.78  1.0
  I  I20  1  0.72  0.84  0.97  1.0
  I  I21  1  0.97  0.84  0.38  1.0
  F  F22  1  0.02  0.75  0.82  1.0
  F  F23  1  0.03  0.03  0.3  1.0
  F  F24  1  0.04  0.24  0.28  1.0
  F  F25  1  0.05  0.93  0.7  1.0
  F  F26  1  0.07  0.05  0.53  1.0
  F  F27  1  0.11  0.61  0.41  1.0
  F  F28  1  0.19  0.81  0.36  1.0
  F  F29  1  0.2  0.11  0.83  1.0
  F  F30  1  0.21  0.57  0.92  1.0
  F  F31  1  0.22  0.88  0.39  1.0
  F  F32  1  0.31  0.07  0.34  1.0
  F  F33  1  0.34  0.63  0.22  1.0
  F  F34  1  0.36  0.75  0.05  1.0
  F  F35  1  0.37  0.45  0.47  1.0
  F  F36  1  0.39  0.65  0.45  1.0
  F  F37  1  0.39  0.93  0.93  1.0
  F  F38  1  0.53  0.43  0.99  1.0
  F  F39  1  0.54  0.56  0.58  1.0
  F  F40  1  0.62  0.96  0.5  1.0
  F  F41  1  0.63  0.8  0.74  1.0
  F  F42  1  0.78  0.88  0.01  1.0
  F  F43  1  0.79  0.73  0.25  1.0
  F  F44  1  0.87  0.12  0.17  1.0
  F  F45  1  0.89  0.26  0.76  1.0

Sb Sb Sb As As S S S S S S S S S S S S S S I I I F F F F F F F F F F F F F F F F F F F F F F F F