data_TiAlGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   2.98
_cell_angle_alpha   102.31
_cell_angle_beta   102.31
_cell_angle_gamma   113.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlGe2
_chemical_formula_sum   'Ti1 Al1 Ge2'
_cell_volume   67.11
_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  0.84  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.84  0.15  0.38  1.0
  Ge  Ge2  1  0.84  0.85  0.38  1.0

data_TiAlGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   113.03
_cell_angle_beta   102.31
_cell_angle_gamma   102.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlGe2
_chemical_formula_sum   'Ti1 Al1 Ge2'
_cell_volume   67.11
_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  0.84  0.0  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.38  0.84  0.15  1.0
  Ge  Ge3  1  0.38  0.84  0.85  1.0

Ti Al Ge Ge