data_Ti2FeGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   134.58
_cell_angle_beta   127.66
_cell_angle_gamma   71.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2FeGe
_chemical_formula_sum   'Ti2 Fe1 Ge1'
_cell_volume   57.34
_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  0.82  0.0  0.8  1.0
  Ti  Ti3  1  0.0  0.07  0.01  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.81  1.0

data_Ti2FeGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.15
_cell_length_c   4.7
_cell_angle_alpha   116.17
_cell_angle_beta   112.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2FeGe
_chemical_formula_sum   'Ti2 Fe1 Ge1'
_cell_volume   57.34
_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  0.8  0.98  1.0
  Ti  Ti1  1  0.93  0.94  0.94  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.81  0.81  1.0

Ti Ti Fe Ge