data_Ti2InGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   4.69
_cell_angle_alpha   114.17
_cell_angle_beta   114.17
_cell_angle_gamma   32.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2InGe
_chemical_formula_sum   'Ti2 In1 Ge1'
_cell_volume   72.57
_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  0.68  0.0  0.23  1.0
  Ti  Ti3  1  0.2  0.0  0.1  1.0
  In  In1  1  0.72  0.0  0.01  1.0
  Ge  Ge0  1  0.52  0.0  0.27  1.0

data_Ti2InGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.69
_cell_length_c   5.65
_cell_angle_alpha   114.17
_cell_angle_beta   106.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2InGe
_chemical_formula_sum   'Ti2 In1 Ge1'
_cell_volume   72.57
_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  Ti0  1  0.0  0.1  0.2  1.0
  Ti  Ti1  1  0.0  0.23  0.68  1.0
  In  In2  1  0.0  0.01  0.72  1.0
  Ge  Ge3  1  0.0  0.27  0.52  1.0

Ti Ti In Ge