data_V2GaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   7.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2GaGe
_chemical_formula_sum   'V2 Ga1 Ge1'
_cell_volume   57.41
_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  0.65  0.0  0.96  1.0
  V  V3  1  0.65  0.0  0.04  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.0  1.0  1.0

data_V2GaGe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.73
_cell_length_b   7.99
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   105.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   V2GaGe
_chemical_formula_sum   'V2 Ga1 Ge1'
_cell_volume   57.41
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.65  0.04  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

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