data_In2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32
_cell_length_b   6.03
_cell_length_c   8.54
_cell_angle_alpha   57.27
_cell_angle_beta   43.84
_cell_angle_gamma   78.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2Si3
_chemical_formula_sum   'In4 Si6'
_cell_volume   206.41
_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  0.8  0.02  0.61  1.0
  In  In1  1  0.75  0.4  0.61  1.0
  In  In2  1  0.44  0.76  0.07  1.0
  In  In3  1  0.38  0.38  0.07  1.0
  Si  Si4  1  0.69  0.89  0.0  1.0
  Si  Si5  1  0.86  0.53  0.0  1.0
  Si  Si6  1  0.33  0.89  0.46  1.0
  Si  Si7  1  0.49  0.25  0.46  1.0
  Si  Si8  1  0.27  0.71  0.43  1.0
  Si  Si9  1  0.64  0.36  0.89  1.0

data_In2Si3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.83
_cell_length_b   6.03
_cell_length_c   7.32
_cell_angle_alpha   78.89
_cell_angle_beta   66.53
_cell_angle_gamma   61.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2Si3
_chemical_formula_sum   'In4 Si6'
_cell_volume   206.41
_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  0.2  0.36  0.41  1.0
  In  In1  1  0.25  0.98  0.36  1.0
  In  In2  1  0.56  0.17  0.51  1.0
  In  In3  1  0.62  0.55  0.45  1.0
  Si  Si4  1  0.14  0.47  0.86  1.0
  Si  Si5  1  0.31  0.1  0.69  1.0
  Si  Si6  1  0.36  0.75  0.53  1.0
  Si  Si7  1  0.51  0.29  0.95  1.0
  Si  Si8  1  0.67  0.65  0.79  1.0
  Si  Si9  1  0.73  0.85  0.71  1.0

In In In In Si Si Si Si Si Si
In2Si3 crystallizes in the triclinic P1 space group. There are four inequivalent In sites. In the first In site, In(1) is bonded in a 3-coordinate geometry to one In(2), one In(3), one Si(1), and one Si(4) atom. The In(1)-In(2) bond length is 2.24 Å. The In(1)-In(3) bond length is 2.19 Å. The In(1)-Si(1) bond length is 2.41 Å. The In(1)-Si(4) bond length is 3.14 Å. In the second In site, In(2) is bonded in a distorted single-bond geometry to one In(1) and one Si(6) atom. The In(2)-Si(6) bond length is 1.72 Å. In the third In site, In(3) is bonded in a distorted single-bond geometry to one In(1), one Si(1), and one Si(5) atom. The In(3)-Si(1) bond length is 1.70 Å. The In(3)-Si(5) bond length is 2.21 Å. In the fourth In site, In(4) is bonded in a single-bond geometry to one Si(6) atom. The In(4)-Si(6) bond length is 1.36 Å. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted single-bond geometry to one In(1), one In(3), one Si(2), and one Si(5) atom. The Si(1)-Si(2) bond length is 2.28 Å. The Si(1)-Si(5) bond length is 2.19 Å. In the second Si site, Si(2) is bonded in a 3-coordinate geometry to one Si(1), one Si(3), and one Si(4) atom. The Si(2)-Si(3) bond length is 2.65 Å. The Si(2)-Si(4) bond length is 2.19 Å. In the third Si site, Si(3) is bonded in a distorted single-bond geometry to one Si(2), one Si(4), and one Si(5) atom. The Si(3)-Si(4) bond length is 2.69 Å. The Si(3)-Si(5) bond length is 1.37 Å. In the fourth Si site, Si(4) is bonded in a 3-coordinate geometry to one In(1), one Si(2), and one Si(3) atom. In the fifth Si site, Si(5) is bonded in a 3-coordinate geometry to one In(3), one Si(1), and one Si(3) atom. In the sixth Si site, Si(6) is bonded in a distorted bent 120 degrees geometry to one In(2) and one In(4) atom.