data_InSiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   10.33
_cell_length_c   13.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiN2
_chemical_formula_sum   'In16 Si16 N32'
_cell_volume   797.24
_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  0.31  0.0  0.89  1.0
  In  In1  1  0.53  0.16  0.02  1.0
  In  In2  1  0.24  0.17  0.07  1.0
  In  In3  1  0.02  0.32  0.84  1.0
  In  In4  1  0.24  0.32  0.02  1.0
  In  In5  1  0.02  0.17  0.89  1.0
  In  In6  1  0.31  0.16  0.84  1.0
  In  In7  1  0.53  0.0  0.07  1.0
  In  In8  1  0.93  0.38  0.45  1.0
  In  In9  1  0.16  0.78  0.46  1.0
  In  In10  1  0.62  0.54  0.5  1.0
  In  In11  1  0.39  0.95  0.41  1.0
  In  In12  1  0.62  0.95  0.46  1.0
  In  In13  1  0.39  0.54  0.45  1.0
  In  In14  1  0.93  0.78  0.41  1.0
  In  In15  1  0.16  0.38  0.5  1.0
  Si  Si16  1  0.44  0.27  0.6  1.0
  Si  Si17  1  0.66  0.21  0.31  1.0
  Si  Si18  1  0.11  0.11  0.36  1.0
  Si  Si19  1  0.89  0.05  0.55  1.0
  Si  Si20  1  0.11  0.05  0.31  1.0
  Si  Si21  1  0.89  0.11  0.6  1.0
  Si  Si22  1  0.44  0.21  0.55  1.0
  Si  Si23  1  0.66  0.27  0.36  1.0
  Si  Si24  1  0.66  0.73  0.83  1.0
  Si  Si25  1  0.88  0.43  0.08  1.0
  Si  Si26  1  0.89  0.89  0.12  1.0
  Si  Si27  1  0.67  0.59  0.79  1.0
  Si  Si28  1  0.89  0.59  0.08  1.0
  Si  Si29  1  0.67  0.89  0.83  1.0
  Si  Si30  1  0.66  0.43  0.79  1.0
  Si  Si31  1  0.88  0.73  0.12  1.0
  N  N32  1  0.36  0.55  0.24  1.0
  N  N33  1  0.13  0.62  0.67  1.0
  N  N34  1  0.19  0.71  0.71  1.0
  N  N35  1  0.42  0.78  0.2  1.0
  N  N36  1  0.19  0.78  0.67  1.0
  N  N37  1  0.42  0.71  0.24  1.0
  N  N38  1  0.36  0.62  0.2  1.0
  N  N39  1  0.13  0.55  0.71  1.0
  N  N40  1  0.61  0.08  0.5  1.0
  N  N41  1  0.83  0.08  0.41  1.0
  N  N42  1  0.94  0.25  0.45  1.0
  N  N43  1  0.72  0.24  0.46  1.0
  N  N44  1  0.94  0.24  0.41  1.0
  N  N45  1  0.72  0.25  0.5  1.0
  N  N46  1  0.61  0.08  0.46  1.0
  N  N47  1  0.83  0.08  0.45  1.0
  N  N48  1  0.95  0.3  0.07  1.0
  N  N49  1  0.18  0.86  0.84  1.0
  N  N50  1  0.6  0.47  0.88  1.0
  N  N51  1  0.37  0.02  0.03  1.0
  N  N52  1  0.6  0.02  0.84  1.0
  N  N53  1  0.37  0.47  0.07  1.0
  N  N54  1  0.95  0.86  0.03  1.0
  N  N55  1  0.18  0.3  0.88  1.0
  N  N56  1  0.46  0.72  0.31  1.0
  N  N57  1  0.69  0.45  0.6  1.0
  N  N58  1  0.09  0.88  0.65  1.0
  N  N59  1  0.86  0.61  0.26  1.0
  N  N60  1  0.09  0.61  0.6  1.0
  N  N61  1  0.86  0.88  0.31  1.0
  N  N62  1  0.46  0.45  0.26  1.0
  N  N63  1  0.69  0.72  0.65  1.0

data_InSiN2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.55
_cell_length_b   10.33
_cell_length_c   13.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   InSiN2
_chemical_formula_sum   'In16 Si16 N32'
_cell_volume   797.24
_cell_formula_units_Z   16
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  0.03  0.84  0.43  1.0
  In  In1  2  0.03  1.0  0.39  1.0
  In  In2  2  0.12  0.38  1.0  1.0
  In  In3  2  0.12  0.78  0.95  1.0
  In  In4  2  0.26  0.84  0.61  1.0
  In  In5  2  0.26  1.0  0.57  1.0
  In  In6  2  0.34  0.38  0.05  1.0
  In  In7  2  0.34  0.78  0.0  1.0
  Si  Si8  2  0.16  0.05  0.1  1.0
  Si  Si9  2  0.16  0.11  0.14  1.0
  Si  Si10  2  0.38  0.57  0.38  1.0
  Si  Si11  2  0.38  0.27  0.33  1.0
  Si  Si12  2  0.39  0.05  0.86  1.0
  Si  Si13  2  0.39  0.11  0.9  1.0
  Si  Si14  2  0.39  0.43  0.33  1.0
  Si  Si15  2  0.39  0.73  0.38  1.0
  N  N16  2  0.08  0.45  0.74  1.0
  N  N17  2  0.08  0.38  0.79  1.0
  N  N18  2  0.1  0.86  0.57  1.0
  N  N19  2  0.1  0.3  0.62  1.0
  N  N20  2  0.14  0.55  0.79  1.0
  N  N21  2  0.14  0.62  0.74  1.0
  N  N22  2  0.19  0.55  0.85  1.0
  N  N23  2  0.19  0.28  0.81  1.0
  N  N24  2  0.32  0.3  0.43  1.0
  N  N25  2  0.32  0.86  0.38  1.0
  N  N26  2  0.33  0.92  0.0  1.0
  N  N27  2  0.33  0.92  0.05  1.0
  N  N28  2  0.41  0.55  0.19  1.0
  N  N29  2  0.41  0.28  0.15  1.0
  N  N30  2  0.44  0.08  0.0  1.0
  N  N31  2  0.44  0.08  0.05  1.0

In In In In In In In In In In In In In In In In Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N N