data_TiNbGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbGe2
_chemical_formula_sum   'Ti1 Nb1 Ge2'
_cell_volume   65.8
_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  Nb2  1  0.93  0.0  0.0  1.0
  Ge  Ge0  1  0.46  0.89  0.49  1.0
  Ge  Ge1  1  0.46  0.11  0.49  1.0

data_TiNbGe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.78
_cell_length_b   2.98
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   104.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TiNbGe2
_chemical_formula_sum   'Ti1 Nb1 Ge2'
_cell_volume   65.8
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.93  0.0  0.0  1.0
  Ge  Ge2  1  0.46  0.5  0.11  1.0
  Ge  Ge3  1  0.46  0.5  0.89  1.0

Ti Nb Ge Ge
Ti Nb Ge Ge 0 1 - o o 2 3 o + o 