data_TiNbGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.12
_cell_length_b   9.12
_cell_length_c   9.12
_cell_angle_alpha   19.08
_cell_angle_beta   19.08
_cell_angle_gamma   19.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbGe2
_chemical_formula_sum   'Ti1 Nb1 Ge2'
_cell_volume   70.74
_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  0.76  1.0
  Nb  Nb2  1  0.0  0.0  0.4  1.0
  Ge  Ge0  1  0.0  0.0  0.79  1.0
  Ge  Ge1  1  0.0  0.0  0.16  1.0

data_TiNbGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.23
_cell_length_b   3.02
_cell_length_c   9.12
_cell_angle_alpha   90.0
_cell_angle_beta   101.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiNbGe2
_chemical_formula_sum   'Ti2 Nb2 Ge4'
_cell_volume   141.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.24  1.0
  Nb  Nb1  2  0.0  0.0  0.6  1.0
  Ge  Ge2  2  0.0  0.0  0.21  1.0
  Ge  Ge3  2  0.0  0.0  0.84  1.0

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