data_TiNb2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   141.37
_cell_angle_beta   130.86
_cell_angle_gamma   64.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb2Ge
_chemical_formula_sum   'Ti1 Nb2 Ge1'
_cell_volume   67.96
_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
  Nb  Nb1  1  0.0  0.19  0.26  1.0
  Nb  Nb2  1  0.74  0.0  0.2  1.0
  Ge  Ge0  1  0.0  0.0  0.46  1.0

data_TiNb2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.38
_cell_length_c   5.26
_cell_angle_alpha   114.57
_cell_angle_beta   109.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb2Ge
_chemical_formula_sum   'Ti1 Nb2 Ge1'
_cell_volume   67.96
_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
  Nb  Nb1  1  0.54  0.8  0.54  1.0
  Nb  Nb2  1  0.74  0.93  0.93  1.0
  Ge  Ge3  1  0.54  0.54  0.54  1.0

Ti Nb Nb Ge