data_V2GeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2GeAu
_chemical_formula_sum   'V2 Ge1 Au1'
_cell_volume   59.92
_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
  V  V2  1  0.33  0.04  0.38  1.0
  V  V3  1  0.33  0.96  0.38  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.66  0.0  0.0  1.0

data_V2GeAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   113.86
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2GeAu
_chemical_formula_sum   'V2 Ge1 Au1'
_cell_volume   59.92
_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
  V  V0  1  0.38  0.33  0.04  1.0
  V  V1  1  0.38  0.33  0.96  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.66  0.0  1.0

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