data_TiVGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   3.79
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   103.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVGe2
_chemical_formula_sum   'Ti1 V1 Ge2'
_cell_volume   62.3
_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  Ti2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.76  0.0  0.82  1.0
  Ge  Ge0  1  0.72  0.89  0.19  1.0
  Ge  Ge1  1  0.8  0.89  0.44  1.0

data_TiVGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.79
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   103.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVGe2
_chemical_formula_sum   'Ti1 V1 Ge2'
_cell_volume   62.3
_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
  V  V1  1  0.76  0.0  0.82  1.0
  Ge  Ge2  1  0.72  0.89  0.19  1.0
  Ge  Ge3  1  0.8  0.89  0.44  1.0

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