data_TiNiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   3.82
_cell_length_c   4.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNiGe2
_chemical_formula_sum   'Ti1 Ni1 Ge2'
_cell_volume   57.56
_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
  Ni  Ni2  1  0.0  0.91  0.09  1.0
  Ge  Ge0  1  0.8  0.0  0.09  1.0
  Ge  Ge1  1  0.8  0.91  0.0  1.0

data_TiNiGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.82
_cell_length_c   4.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNiGe2
_chemical_formula_sum   'Ti1 Ni1 Ge2'
_cell_volume   57.56
_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
  Ni  Ni1  1  -0.0  0.91  0.09  1.0
  Ge  Ge2  1  0.8  0.0  0.09  1.0
  Ge  Ge3  1  0.8  0.91  0.0  1.0

Ti Ni Ge Ge
Ti Ni Ge Ge 0 1 o - o 2 3 o - o 