data_InGeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   10.79
_cell_length_c   14.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGeN2
_chemical_formula_sum   'In16 Ge16 N32'
_cell_volume   889.47
_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  0.66  0.79  0.95  1.0
  In  In1  1  0.76  0.4  0.25  1.0
  In  In2  1  0.14  0.39  0.15  1.0
  In  In3  1  0.05  0.0  0.06  1.0
  In  In4  1  0.14  0.0  0.25  1.0
  In  In5  1  0.05  0.39  0.95  1.0
  In  In6  1  0.66  0.4  0.06  1.0
  In  In7  1  0.76  0.79  0.15  1.0
  In  In8  1  0.22  0.45  0.57  1.0
  In  In9  1  0.31  0.94  0.63  1.0
  In  In10  1  0.59  0.85  0.53  1.0
  In  In11  1  0.49  0.34  0.67  1.0
  In  In12  1  0.59  0.34  0.63  1.0
  In  In13  1  0.49  0.85  0.57  1.0
  In  In14  1  0.22  0.94  0.67  1.0
  In  In15  1  0.31  0.45  0.53  1.0
  Ge  Ge16  1  0.59  0.73  0.67  1.0
  Ge  Ge17  1  0.69  0.45  0.54  1.0
  Ge  Ge18  1  0.21  0.34  0.43  1.0
  Ge  Ge19  1  0.12  0.06  0.77  1.0
  Ge  Ge20  1  0.21  0.06  0.54  1.0
  Ge  Ge21  1  0.12  0.34  0.67  1.0
  Ge  Ge22  1  0.59  0.45  0.77  1.0
  Ge  Ge23  1  0.69  0.73  0.43  1.0
  Ge  Ge24  1  0.05  0.83  0.86  1.0
  Ge  Ge25  1  0.15  0.56  0.34  1.0
  Ge  Ge26  1  0.76  0.23  0.24  1.0
  Ge  Ge27  1  0.66  0.96  0.96  1.0
  Ge  Ge28  1  0.76  0.96  0.34  1.0
  Ge  Ge29  1  0.66  0.23  0.86  1.0
  Ge  Ge30  1  0.05  0.56  0.96  1.0
  Ge  Ge31  1  0.15  0.83  0.24  1.0
  N  N32  1  0.43  0.66  0.12  1.0
  N  N33  1  0.33  0.74  0.08  1.0
  N  N34  1  0.38  0.05  0.98  1.0
  N  N35  1  0.48  0.13  0.22  1.0
  N  N36  1  0.38  0.13  0.08  1.0
  N  N37  1  0.48  0.05  0.12  1.0
  N  N38  1  0.43  0.74  0.22  1.0
  N  N39  1  0.33  0.66  0.98  1.0
  N  N40  1  0.03  0.23  0.51  1.0
  N  N41  1  0.13  0.16  0.69  1.0
  N  N42  1  0.78  0.63  0.59  1.0
  N  N43  1  0.68  0.56  0.61  1.0
  N  N44  1  0.78  0.56  0.69  1.0
  N  N45  1  0.68  0.63  0.51  1.0
  N  N46  1  0.03  0.16  0.61  1.0
  N  N47  1  0.13  0.23  0.59  1.0
  N  N48  1  0.49  0.6  0.02  1.0
  N  N49  1  0.59  0.79  0.19  1.0
  N  N50  1  0.31  1.0  0.08  1.0
  N  N51  1  0.21  0.19  0.12  1.0
  N  N52  1  0.31  0.19  0.19  1.0
  N  N53  1  0.21  1.0  0.02  1.0
  N  N54  1  0.49  0.79  0.12  1.0
  N  N55  1  0.59  0.6  0.08  1.0
  N  N56  1  0.61  0.86  0.46  1.0
  N  N57  1  0.71  0.53  0.74  1.0
  N  N58  1  0.2  0.26  0.64  1.0
  N  N59  1  0.1  0.93  0.56  1.0
  N  N60  1  0.2  0.93  0.74  1.0
  N  N61  1  0.1  0.26  0.46  1.0
  N  N62  1  0.61  0.53  0.56  1.0
  N  N63  1  0.71  0.86  0.64  1.0

data_InGeN2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.8
_cell_length_b   10.79
_cell_length_c   14.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   InGeN2
_chemical_formula_sum   'In16 Ge16 N32'
_cell_volume   889.47
_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  0.09  0.94  0.57  1.0
  In  In1  2  0.09  0.45  0.47  1.0
  In  In2  2  0.19  0.45  0.43  1.0
  In  In3  2  0.19  0.94  0.53  1.0
  In  In4  2  0.26  0.39  0.85  1.0
  In  In5  2  0.26  0.0  0.95  1.0
  In  In6  2  0.36  0.0  0.15  1.0
  In  In7  2  0.36  0.39  0.05  1.0
  Ge  Ge8  2  0.19  0.34  0.57  1.0
  Ge  Ge9  2  0.19  0.06  0.67  1.0
  Ge  Ge10  2  0.26  0.83  0.76  1.0
  Ge  Ge11  2  0.26  0.56  0.86  1.0
  Ge  Ge12  2  0.29  0.34  0.33  1.0
  Ge  Ge13  2  0.29  0.06  0.43  1.0
  Ge  Ge14  2  0.35  0.56  0.24  1.0
  Ge  Ge15  2  0.35  0.83  0.14  1.0
  N  N16  2  0.02  0.34  0.12  1.0
  N  N17  2  0.02  0.26  0.02  1.0
  N  N18  2  0.07  0.66  0.02  1.0
  N  N19  2  0.07  0.74  0.12  1.0
  N  N20  2  0.09  0.21  0.92  1.0
  N  N21  2  0.09  0.4  0.02  1.0
  N  N22  2  0.19  0.4  0.08  1.0
  N  N23  2  0.19  0.21  0.98  1.0
  N  N24  2  0.21  0.47  0.36  1.0
  N  N25  2  0.21  0.14  0.46  1.0
  N  N26  2  0.28  0.16  0.51  1.0
  N  N27  2  0.28  0.23  0.41  1.0
  N  N28  2  0.3  0.14  0.64  1.0
  N  N29  2  0.3  0.47  0.54  1.0
  N  N30  2  0.37  0.23  0.49  1.0
  N  N31  2  0.37  0.16  0.59  1.0

In In In In In In In In In In In In In In In In Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge 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
InGeN2 crystallizes in the triclinic P-1 space group. There are eight inequivalent In sites. In the first In site, In(1) is bonded in a 5-coordinate geometry to one Ge(5), one Ge(8), one N(11), one N(4), and one N(9) atom. The In(1)-Ge(5) bond length is 2.67 Å. The In(1)-Ge(8) bond length is 1.86 Å. The In(1)-N(11) bond length is 2.52 Å. The In(1)-N(4) bond length is 2.43 Å. The In(1)-N(9) bond length is 2.35 Å. In the second In site, In(2) is bonded in a distorted single-bond geometry to one Ge(6) and one Ge(7) atom. The In(2)-Ge(6) bond length is 3.16 Å. The In(2)-Ge(7) bond length is 1.86 Å. In the third In site, In(3) is bonded in a 2-coordinate geometry to one Ge(6), one N(12), and one N(9) atom. The In(3)-Ge(6) bond length is 3.35 Å. The In(3)-N(12) bond length is 2.29 Å. The In(3)-N(9) bond length is 2.48 Å. In the fourth In site, In(4) is bonded in a distorted single-bond geometry to one N(10), one N(11), and one N(12) atom. The In(4)-N(10) bond length is 1.11 Å. The In(4)-N(11) bond length is 1.59 Å. The In(4)-N(12) bond length is 2.35 Å. In the fifth In site, In(5) is bonded in a 2-coordinate geometry to one In(8) and one Ge(2) atom. The In(5)-In(8) bond length is 0.78 Å. The In(5)-Ge(2) bond length is 1.95 Å. In the sixth In site, In(6) is bonded in a 2-coordinate geometry to one In(7) and one N(16) atom. The In(6)-In(7) bond length is 0.78 Å. The In(6)-N(16) bond length is 1.60 Å. In the seventh In site, In(7) is bonded in a distorted single-bond geometry to one In(6), one N(13), and one N(16) atom. The In(7)-N(13) bond length is 1.00 Å. The In(7)-N(16) bond length is 1.68 Å. In the eighth In site, In(8) is bonded in a 3-coordinate geometry to one In(5), one Ge(3), one Ge(6), and one N(15) atom. The In(8)-Ge(3) bond length is 1.95 Å. The In(8)-Ge(6) bond length is 3.08 Å. The In(8)-N(15) bond length is 1.95 Å. There are eight inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 2-coordinate geometry to one N(16) and one N(7) atom. The Ge(1)-N(16) bond length is 1.61 Å. The Ge(1)-N(7) bond length is 1.92 Å. In the second Ge site, Ge(2) is bonded in a single-bond geometry to one In(5) and one N(15) atom. The Ge(2)-N(15) bond length is 1.05 Å. In the third Ge site, Ge(3) is bonded in a distorted single-bond geometry to one In(8), one Ge(6), and one N(14) atom. The Ge(3)-Ge(6) bond length is 2.78 Å. The Ge(3)-N(14) bond length is 1.16 Å. In the fourth Ge site, Ge(4) is bonded in a bent 120 degrees geometry to one N(13) and one N(6) atom. The Ge(4)-N(13) bond length is 1.54 Å. The Ge(4)-N(6) bond length is 1.59 Å. In the fifth Ge site, Ge(5) is bonded in a distorted single-bond geometry to one In(1) and one N(13) atom. The Ge(5)-N(13) bond length is 2.15 Å. In the sixth Ge site, Ge(6) is bonded in a 4-coordinate geometry to one In(2), one In(3), one In(8), and one Ge(3) atom. In the seventh Ge site, Ge(7) is bonded in a bent 120 degrees geometry to one In(2) and one N(4) atom. The Ge(7)-N(4) bond length is 1.94 Å. In the eighth Ge site, Ge(8) is bonded in a 2-coordinate geometry to one In(1) and one N(3) atom. The Ge(8)-N(3) bond length is 1.94 Å. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one N(11), one N(12), one N(2), one N(3), and one N(9) atom. The N(1)-N(11) bond length is 1.51 Å. The N(1)-N(12) bond length is 1.22 Å. The N(1)-N(2) bond length is 1.17 Å. The N(1)-N(3) bond length is 1.70 Å. The N(1)-N(9) bond length is 1.60 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one N(1), one N(11), and one N(4) atom. The N(2)-N(11) bond length is 1.22 Å. The N(2)-N(4) bond length is 1.70 Å. In the third N site, N(3) is bonded in a 2-coordinate geometry to one Ge(8), one N(1), and one N(10) atom. The N(3)-N(10) bond length is 1.22 Å. In the fourth N site, N(4) is bonded in a 4-coordinate geometry to one In(1), one Ge(7), one N(2), and one N(9) atom. The N(4)-N(9) bond length is 1.22 Å. In the fifth N site, N(5) is bonded in a distorted bent 120 degrees geometry to one N(14) and one N(8) atom. The N(5)-N(14) bond length is 0.87 Å. The N(5)-N(8) bond length is 1.20 Å. In the sixth N site, N(6) is bonded in a 1-coordinate geometry to one Ge(4) and one N(7) atom. The N(6)-N(7) bond length is 1.20 Å. In the seventh N site, N(7) is bonded in a 3-coordinate geometry to one Ge(1), one N(6), and one N(8) atom. The N(7)-N(8) bond length is 1.04 Å. In the eighth N site, N(8) is bonded in a 3-coordinate geometry to one N(15), one N(5), and one N(7) atom. The N(8)-N(15) bond length is 0.87 Å. In the ninth N site, N(9) is bonded in a 5-coordinate geometry to one In(1), one In(3), one N(1), one N(12), and one N(4) atom. The N(9)-N(12) bond length is 1.12 Å. In the tenth N site, N(10) is bonded in a distorted single-bond geometry to one In(4), one N(11), and one N(3) atom. The N(10)-N(11) bond length is 1.12 Å. In the eleventh N site, N(11) is bonded in a 3-coordinate geometry to one In(1), one In(4), one N(1), one N(10), and one N(2) atom. In the twelfth N site, N(12) is bonded in a 4-coordinate geometry to one In(3), one In(4), one N(1), and one N(9) atom. In the thirteenth N site, N(13) is bonded in a 3-coordinate geometry to one In(7), one Ge(4), and one Ge(5) atom. In the fourteenth N site, N(14) is bonded in a 2-coordinate geometry to one Ge(3) and one N(5) atom. In the fifteenth N site, N(15) is bonded in a distorted single-bond geometry to one In(8), one Ge(2), and one N(8) atom. In the sixteenth N site, N(16) is bonded in a 3-coordinate geometry to one In(6), one In(7), and one Ge(1) atom.