data_TiSiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.53
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   95.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSiGe2
_chemical_formula_sum   'Ti1 Si1 Ge2'
_cell_volume   65.53
_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  0.38  0.77  0.91  1.0
  Si  Si2  1  0.21  0.0  0.7  1.0
  Ge  Ge0  1  0.53  0.0  0.22  1.0
  Ge  Ge1  1  0.68  0.77  0.32  1.0

data_TiSiGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   3.53
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   95.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSiGe2
_chemical_formula_sum   'Ti1 Si1 Ge2'
_cell_volume   65.53
_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  0.38  0.77  0.91  1.0
  Si  Si1  1  0.21  0.0  0.7  1.0
  Ge  Ge2  1  0.53  0.0  0.22  1.0
  Ge  Ge3  1  0.68  0.77  0.32  1.0

Ti Si Ge Ge