data_Ti2InGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28
_cell_length_b   9.28
_cell_length_c   9.28
_cell_angle_alpha   18.87
_cell_angle_beta   18.87
_cell_angle_gamma   18.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2InGe
_chemical_formula_sum   'Ti2 In1 Ge1'
_cell_volume   73.09
_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
  Ti  Ti2  1  0.0  0.0  0.37  1.0
  Ti  Ti3  1  0.0  0.0  0.98  1.0
  In  In1  1  0.0  0.0  0.67  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Ti2InGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   3.04
_cell_length_c   9.28
_cell_angle_alpha   90.0
_cell_angle_beta   100.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2InGe
_chemical_formula_sum   'Ti4 In2 Ge2'
_cell_volume   146.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ti  Ti0  2  0.0  0.0  0.02  1.0
  Ti  Ti1  2  0.0  0.0  0.63  1.0
  In  In2  2  0.0  0.0  0.33  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0

Ti Ti In Ge
Ti Ti In Ge 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o o 0 1 o o - 0 2 o o o 1 3 o o + 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o + 
Ti2InGe crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to six equivalent Ti(1), one In(1), and one Ge(1) atom. All Ti(1)-Ti(1) bond lengths are 3.04 Å. The Ti(1)-In(1) bond length is 2.85 Å. The Ti(1)-Ge(1) bond length is 3.39 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one In(1) and one Ge(1) atom. The Ti(2)-In(1) bond length is 2.85 Å. The Ti(2)-Ge(1) bond length is 0.19 Å. In(1) is bonded in a distorted linear geometry to one Ti(1) and one Ti(2) atom. Ge(1) is bonded in a single-bond geometry to one Ti(1) and one Ti(2) atom.