data_TiIn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   134.98
_cell_angle_beta   134.98
_cell_angle_gamma   65.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIn2Ge
_chemical_formula_sum   'Ti1 In2 Ge1'
_cell_volume   80.27
_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  Ti3  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.59  1.0
  In  In2  1  0.0  0.09  0.3  1.0
  Ge  Ge0  1  0.09  0.0  0.3  1.0

data_TiIn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   5.46
_cell_angle_alpha   112.51
_cell_angle_beta   112.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIn2Ge
_chemical_formula_sum   'Ti1 In2 Ge1'
_cell_volume   80.27
_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  0.0  0.0  1.0
  In  In1  1  0.41  0.0  0.41  1.0
  In  In2  1  0.8  0.09  0.8  1.0
  Ge  Ge3  1  0.7  0.0  0.8  1.0

Ti In In Ge