data_Zn7(InS2)16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.74
_cell_length_b   10.74
_cell_length_c   10.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn7(InS2)16
_chemical_formula_sum   'Zn7 In16 S32'
_cell_volume   1240.32
_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
  Zn  Zn0  1  0.19  0.2  0.05  1.0
  Zn  Zn1  1  0.81  0.8  0.56  1.0
  Zn  Zn2  1  0.0  0.61  0.05  1.0
  Zn  Zn3  1  0.0  0.39  0.56  1.0
  Zn  Zn4  1  0.81  0.2  0.05  1.0
  Zn  Zn5  1  0.19  0.8  0.56  1.0
  Zn  Zn6  1  0.0  0.0  0.0  1.0
  In  In7  1  0.9  0.52  0.2  1.0
  In  In8  1  0.0  0.0  0.3  1.0
  In  In9  1  0.86  0.07  0.2  1.0
  In  In10  1  0.0  0.85  0.2  1.0
  In  In11  1  0.14  0.07  0.2  1.0
  In  In12  1  0.8  0.19  0.1  1.0
  In  In13  1  0.14  0.93  0.41  1.0
  In  In14  1  0.2  0.39  0.2  1.0
  In  In15  1  0.86  0.93  0.41  1.0
  In  In16  1  0.0  0.61  0.1  1.0
  In  In17  1  0.3  0.1  0.2  1.0
  In  In18  1  0.0  0.15  0.41  1.0
  In  In19  1  0.7  0.1  0.2  1.0
  In  In20  1  0.2  0.19  0.1  1.0
  In  In21  1  0.1  0.52  0.2  1.0
  In  In22  1  0.8  0.39  0.2  1.0
  S  S23  1  0.14  0.07  0.84  1.0
  S  S24  1  0.77  0.18  0.67  1.0
  S  S25  1  0.86  0.07  0.84  1.0
  S  S26  1  0.79  0.07  0.67  1.0
  S  S27  1  0.86  0.93  0.76  1.0
  S  S28  1  0.23  0.82  0.94  1.0
  S  S29  1  0.14  0.93  0.76  1.0
  S  S30  1  0.21  0.93  0.94  1.0
  S  S31  1  0.96  0.25  0.67  1.0
  S  S32  1  0.0  0.0  0.81  1.0
  S  S33  1  0.67  0.28  0.77  1.0
  S  S34  1  0.0  0.86  0.84  1.0
  S  S35  1  0.04  0.75  0.94  1.0
  S  S36  1  0.0  0.0  0.8  1.0
  S  S37  1  0.33  0.72  0.84  1.0
  S  S38  1  0.0  0.14  0.76  1.0
  S  S39  1  0.17  0.68  0.67  1.0
  S  S40  1  0.23  0.18  0.67  1.0
  S  S41  1  0.83  0.68  0.67  1.0
  S  S42  1  0.21  0.07  0.67  1.0
  S  S43  1  0.83  0.32  0.94  1.0
  S  S44  1  0.77  0.82  0.94  1.0
  S  S45  1  0.17  0.32  0.94  1.0
  S  S46  1  0.79  0.93  0.94  1.0
  S  S47  1  0.33  0.28  0.77  1.0
  S  S48  1  0.0  0.65  0.67  1.0
  S  S49  1  0.04  0.25  0.67  1.0
  S  S50  1  0.0  0.45  0.77  1.0
  S  S51  1  0.67  0.72  0.84  1.0
  S  S52  1  0.0  0.35  0.94  1.0
  S  S53  1  0.96  0.75  0.94  1.0
  S  S54  1  0.0  0.55  0.84  1.0

data_Zn7(InS2)16
_symmetry_space_group_name_H-M   Pm
_cell_length_a   10.74
_cell_length_b   10.74
_cell_length_c   10.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Zn7(InS2)16
_chemical_formula_sum   'Zn7 In16 S32'
_cell_volume   1240.32
_cell_formula_units_Z   1
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
  Zn  Zn0  2  0.2  0.19  0.05  1.0
  Zn  Zn1  2  0.8  0.19  0.56  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.39  0.0  0.56  1.0
  Zn  Zn4  1  0.61  0.0  0.05  1.0
  In  In5  2  0.07  0.14  0.2  1.0
  In  In6  2  0.1  0.3  0.2  1.0
  In  In7  2  0.19  0.2  0.1  1.0
  In  In8  2  0.39  0.2  0.2  1.0
  In  In9  2  0.52  0.1  0.2  1.0
  In  In10  2  0.93  0.14  0.41  1.0
  In  In11  1  0.0  0.0  0.3  1.0
  In  In12  1  0.15  0.0  0.41  1.0
  In  In13  1  0.61  0.0  0.1  1.0
  In  In14  1  0.85  0.0  0.2  1.0
  S  S15  2  0.07  0.21  0.67  1.0
  S  S16  2  0.07  0.14  0.84  1.0
  S  S17  2  0.18  0.23  0.67  1.0
  S  S18  2  0.25  0.04  0.67  1.0
  S  S19  2  0.28  0.33  0.77  1.0
  S  S20  2  0.32  0.17  0.94  1.0
  S  S21  2  0.68  0.17  0.67  1.0
  S  S22  2  0.72  0.33  0.84  1.0
  S  S23  2  0.75  0.04  0.94  1.0
  S  S24  2  0.82  0.23  0.94  1.0
  S  S25  2  0.93  0.14  0.76  1.0
  S  S26  2  0.93  0.21  0.94  1.0
  S  S27  1  0.0  0.0  0.8  1.0
  S  S28  1  0.0  0.0  0.81  1.0
  S  S29  1  0.14  0.0  0.76  1.0
  S  S30  1  0.35  0.0  0.94  1.0
  S  S31  1  0.45  0.0  0.77  1.0
  S  S32  1  0.55  0.0  0.84  1.0
  S  S33  1  0.65  0.0  0.67  1.0
  S  S34  1  0.86  0.0  0.84  1.0

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