data_TaVGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   3.93
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   101.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVGe2
_chemical_formula_sum   'Ta1 V1 Ge2'
_cell_volume   63.27
_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
  Ta  Ta2  1  0.91  0.0  0.76  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.98  0.96  0.32  1.0
  Ge  Ge1  1  0.83  0.96  0.2  1.0

data_TaVGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.93
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   101.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVGe2
_chemical_formula_sum   'Ta1 V1 Ge2'
_cell_volume   63.27
_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
  Ta  Ta0  1  0.91  0.0  0.76  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.83  0.96  0.2  1.0
  Ge  Ge3  1  0.98  0.96  0.32  1.0

Ta V Ge Ge
Ta V Ge Ge 0 1 + o + 1 3 - - o 2 3 o o o 