data_In6S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22
_cell_length_b   3.94
_cell_length_c   17.43
_cell_angle_alpha   90.0
_cell_angle_beta   101.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In6S7
_chemical_formula_sum   'In12 S14'
_cell_volume   619.11
_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
  In  In0  1  0.1  0.98  0.79  1.0
  In  In1  1  0.19  0.95  0.07  1.0
  In  In2  1  0.85  0.95  0.22  1.0
  In  In3  1  0.34  0.95  0.69  1.0
  In  In4  1  0.59  0.98  0.76  1.0
  In  In5  1  0.33  0.95  0.99  1.0
  In  In6  1  0.29  0.98  0.07  1.0
  In  In7  1  0.02  0.95  0.3  1.0
  In  In8  1  0.28  0.98  0.37  1.0
  In  In9  1  0.77  0.98  0.84  1.0
  In  In10  1  0.43  0.98  0.99  1.0
  In  In11  1  0.51  0.95  0.26  1.0
  S  S12  1  0.67  0.98  0.09  1.0
  S  S13  1  0.8  0.95  0.54  1.0
  S  S14  1  0.64  0.98  0.98  1.0
  S  S15  1  0.02  0.98  0.65  1.0
  S  S16  1  0.82  0.95  0.91  1.0
  S  S17  1  0.8  0.98  0.99  1.0
  S  S18  1  0.98  0.95  0.99  1.0
  S  S19  1  0.63  0.98  0.07  1.0
  S  S20  1  0.82  0.95  0.06  1.0
  S  S21  1  0.8  0.98  0.14  1.0
  S  S22  1  0.6  0.95  0.4  1.0
  S  S23  1  0.98  0.95  0.08  1.0
  S  S24  1  0.81  0.98  0.52  1.0
  S  S25  1  0.94  0.95  0.96  1.0

data_In6S7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.94
_cell_length_b   9.22
_cell_length_c   17.43
_cell_angle_alpha   101.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   In6S7
_chemical_formula_sum   'In12 S14'
_cell_volume   619.11
_cell_formula_units_Z   2
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
  In  In0  2  0.02  0.3  0.26  1.0
  In  In1  2  0.02  0.78  0.23  1.0
  In  In2  2  0.02  0.47  0.84  1.0
  In  In3  2  0.02  0.48  0.54  1.0
  In  In4  2  0.02  0.62  0.46  1.0
  In  In5  2  0.02  0.96  0.31  1.0
  S  S6  2  0.02  0.21  0.12  1.0
  S  S7  2  0.02  0.83  0.45  1.0
  S  S8  2  0.02  0.86  0.57  1.0
  S  S9  2  0.02  0.99  0.47  1.0
  S  S10  2  0.02  0.0  0.99  1.0
  S  S11  2  0.02  0.82  0.54  1.0
  S  S12  2  0.02  0.99  0.61  1.0

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