data_InSeI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.28
_cell_length_b   14.28
_cell_length_c   14.28
_cell_angle_alpha   97.44
_cell_angle_beta   97.44
_cell_angle_gamma   137.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSeI
_chemical_formula_sum   'In16 Se16 I16'
_cell_volume   1823.66
_cell_formula_units_Z   16
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  In16  1  0.16  0.19  0.54  1.0
  In  In17  1  0.63  0.32  0.2  1.0
  In  In18  1  0.32  0.79  0.76  1.0
  In  In19  1  0.81  0.74  0.11  1.0
  In  In20  1  0.61  0.68  0.97  1.0
  In  In21  1  0.1  0.63  0.63  1.0
  In  In22  1  0.79  0.1  0.33  1.0
  In  In23  1  0.68  0.81  0.54  1.0
  In  In24  1  0.74  0.19  0.17  1.0
  In  In25  1  0.63  0.74  0.37  1.0
  In  In26  1  0.9  0.79  0.94  1.0
  In  In27  1  0.23  0.74  0.6  1.0
  In  In28  1  0.61  0.26  0.6  1.0
  In  In29  1  0.52  0.63  0.8  1.0
  In  In30  1  0.79  0.68  0.51  1.0
  In  In31  1  0.68  0.23  0.03  1.0
  Se  Se32  1  0.04  0.38  0.11  1.0
  Se  Se33  1  0.66  0.03  0.21  1.0
  Se  Se34  1  0.81  0.24  0.78  1.0
  Se  Se35  1  0.38  0.39  0.4  1.0
  Se  Se36  1  0.04  0.04  0.54  1.0
  Se  Se37  1  0.03  0.76  0.78  1.0
  Se  Se38  1  0.76  0.39  0.34  1.0
  Se  Se39  1  0.39  0.04  0.97  1.0
  Se  Se40  1  0.46  0.38  0.6  1.0
  Se  Se41  1  0.66  0.61  0.36  1.0
  Se  Se42  1  0.81  0.66  0.79  1.0
  Se  Se43  1  0.38  0.96  0.16  1.0
  Se  Se44  1  0.04  0.46  0.03  1.0
  Se  Se45  1  0.61  0.76  0.93  1.0
  Se  Se46  1  0.18  0.39  0.36  1.0
  Se  Se47  1  0.96  0.04  0.73  1.0
  I  I0  1  0.54  0.7  0.54  1.0
  I  I1  1  0.76  0.91  0.15  1.0
  I  I2  1  0.73  0.97  0.59  1.0
  I  I3  1  0.49  0.66  0.98  1.0
  I  I4  1  0.93  0.76  0.85  1.0
  I  I5  1  0.27  0.88  0.59  1.0
  I  I6  1  0.66  0.51  0.29  1.0
  I  I7  1  0.46  0.15  0.54  1.0
  I  I8  1  0.54  0.12  0.02  1.0
  I  I9  1  0.76  0.49  0.41  1.0
  I  I10  1  0.3  0.97  0.11  1.0
  I  I11  1  0.91  0.66  0.72  1.0
  I  I12  1  0.93  0.34  0.72  1.0
  I  I13  1  0.7  0.88  0.11  1.0
  I  I14  1  0.08  0.51  0.41  1.0
  I  I15  1  0.46  0.73  0.02  1.0

data_InSeI
_symmetry_space_group_name_H-M   P1
_cell_length_a   10.27
_cell_length_b   14.28
_cell_length_c   14.28
_cell_angle_alpha   82.56
_cell_angle_beta   68.92
_cell_angle_gamma   68.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSeI
_chemical_formula_sum   'In16 Se16 I16'
_cell_volume   1823.66
_cell_formula_units_Z   16
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  0.69  0.67  1.0
  In  In1  1  0.19  0.55  0.83  1.0
  In  In2  1  0.19  0.98  0.46  1.0
  In  In3  1  0.23  0.45  0.97  1.0
  In  In4  1  0.26  0.35  0.4  1.0
  In  In5  1  0.32  0.31  0.8  1.0
  In  In6  1  0.63  0.47  0.37  1.0
  In  In7  1  0.63  0.89  0.2  1.0
  In  In8  1  0.68  0.11  0.49  1.0
  In  In9  1  0.68  0.93  0.03  1.0
  In  In10  1  0.74  0.07  0.89  1.0
  In  In11  1  0.74  0.49  0.4  1.0
  In  In12  1  0.74  0.89  0.63  1.0
  In  In13  1  0.79  0.11  0.06  1.0
  In  In14  1  0.79  0.53  0.24  1.0
  In  In15  1  0.81  0.87  0.46  1.0
  Se  Se16  1  0.03  0.63  0.79  1.0
  Se  Se17  1  0.04  0.01  0.46  1.0
  Se  Se18  1  0.04  0.34  0.03  1.0
  Se  Se19  1  0.04  0.92  0.27  1.0
  Se  Se20  1  0.24  0.57  0.22  1.0
  Se  Se21  1  0.38  0.08  0.4  1.0
  Se  Se22  1  0.38  0.66  0.89  1.0
  Se  Se23  1  0.39  0.99  0.6  1.0
  Se  Se24  1  0.39  0.37  0.66  1.0
  Se  Se25  1  0.39  0.79  0.64  1.0
  Se  Se26  1  0.46  0.59  0.97  1.0
  Se  Se27  1  0.61  0.05  0.64  1.0
  Se  Se28  1  0.66  0.15  0.21  1.0
  Se  Se29  1  0.76  0.27  0.22  1.0
  Se  Se30  1  0.76  0.85  0.07  1.0
  Se  Se31  1  0.96  0.41  0.84  1.0
  I  I32  1  0.12  0.43  0.98  1.0
  I  I33  1  0.15  0.31  0.46  1.0
  I  I34  1  0.34  0.59  0.28  1.0
  I  I35  1  0.49  0.27  0.59  1.0
  I  I36  1  0.51  0.15  0.71  1.0
  I  I37  1  0.51  0.57  0.59  1.0
  I  I38  1  0.66  0.25  0.28  1.0
  I  I39  1  0.66  0.83  0.02  1.0
  I  I40  1  0.7  0.85  0.46  1.0
  I  I41  1  0.73  0.73  0.98  1.0
  I  I42  1  0.76  0.17  0.15  1.0
  I  I43  1  0.88  0.4  0.41  1.0
  I  I44  1  0.88  0.82  0.89  1.0
  I  I45  1  0.91  0.85  0.85  1.0
  I  I46  1  0.97  0.34  0.89  1.0
  I  I47  1  0.97  0.76  0.41  1.0

In In In In In In In In In In In In In In In In Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se I I I I I I I I I I I I I I I I