data_TiV2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   140.91
_cell_angle_beta   131.0
_cell_angle_gamma   64.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiV2Ge
_chemical_formula_sum   'Ti1 V2 Ge1'
_cell_volume   57.75
_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  Ti1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.66  0.0  0.08  1.0
  V  V3  1  0.0  0.06  0.13  1.0
  Ge  Ge0  1  0.0  0.0  0.21  1.0

data_TiV2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.12
_cell_length_c   4.97
_cell_angle_alpha   114.5
_cell_angle_beta   109.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiV2Ge
_chemical_formula_sum   'Ti1 V2 Ge1'
_cell_volume   57.75
_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  0.0  0.08  0.41  1.0
  V  V2  1  0.94  0.07  0.07  1.0
  Ge  Ge3  1  0.0  0.21  0.21  1.0

Ti V V Ge