data_InSnGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSnGe2
_chemical_formula_sum   'In1 Sn1 Ge2'
_cell_volume   93.43
_cell_formula_units_Z   1
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  In2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.22  0.0  0.0  1.0
  Ge  Ge0  1  0.61  0.74  0.61  1.0
  Ge  Ge1  1  0.61  0.26  0.61  1.0

data_InSnGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   108.88
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSnGe2
_chemical_formula_sum   'In1 Sn1 Ge2'
_cell_volume   93.43
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  Sn  Sn1  1  -0.0  0.22  0.0  1.0
  Ge  Ge2  1  0.61  0.61  0.26  1.0
  Ge  Ge3  1  0.61  0.61  0.74  1.0

In Sn Ge Ge
In Sn Ge Ge 0 1 o o o 0 2 - - o 0 2 - - - 0 3 - o - 1 2 o - - 1 3 o o o 1 3 o o - 2 3 o + o 2 3 o o o 2 2 o o + 3 3 o o + 
InSnGe2 crystallizes in the triclinic P1 space group. In(1) is bonded in a distorted single-bond geometry to one Sn(1), one Ge(2), and two equivalent Ge(1) atoms. The In(1)-Sn(1) bond length is 1.24 Å. The In(1)-Ge(2) bond length is 3.19 Å. There is one shorter (2.50 Å) and one longer (2.91 Å) In(1)-Ge(1) bond length. Sn(1) is bonded in a distorted single-bond geometry to one In(1), one Ge(1), and two equivalent Ge(2) atoms. The Sn(1)-Ge(1) bond length is 3.19 Å. There is one shorter (2.50 Å) and one longer (2.91 Å) Sn(1)-Ge(2) bond length. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 5-coordinate geometry to two equivalent In(1), one Sn(1), and two equivalent Ge(2) atoms. There is one shorter (2.72 Å) and one longer (2.83 Å) Ge(1)-Ge(2) bond length. In the second Ge site, Ge(2) is bonded in a 5-coordinate geometry to one In(1), two equivalent Sn(1), and two equivalent Ge(1) atoms.