data_VInGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   4.87
_cell_angle_alpha   97.65
_cell_angle_beta   97.65
_cell_angle_gamma   31.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VInGa2
_chemical_formula_sum   'V1 In1 Ga2'
_cell_volume   70.13
_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  V3  1  0.07  0.0  0.67  1.0
  In  In2  1  0.88  0.0  0.46  1.0
  Ga  Ga0  1  0.26  0.0  0.75  1.0
  Ga  Ga1  1  0.44  0.0  0.19  1.0

data_VInGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.87
_cell_length_c   5.27
_cell_angle_alpha   97.65
_cell_angle_beta   105.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VInGa2
_chemical_formula_sum   'V1 In1 Ga2'
_cell_volume   70.13
_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  0.0  0.67  0.07  1.0
  In  In1  1  0.0  0.46  0.88  1.0
  Ga  Ga2  1  0.0  0.19  0.44  1.0
  Ga  Ga3  1  0.0  0.75  0.26  1.0

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