data_VGa2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   4.22
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   93.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGa2Ir
_chemical_formula_sum   'V1 Ga2 Ir1'
_cell_volume   59.52
_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  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.76  0.11  0.23  1.0
  Ga  Ga1  1  0.71  0.11  0.78  1.0
  Ir  Ir2  1  0.24  0.0  0.51  1.0

data_VGa2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.22
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   93.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGa2Ir
_chemical_formula_sum   'V1 Ga2 Ir1'
_cell_volume   59.52
_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  0.0  0.0  1.0
  Ga  Ga1  1  0.71  0.11  0.78  1.0
  Ga  Ga2  1  0.76  0.11  0.23  1.0
  Ir  Ir3  1  0.24  0.0  0.51  1.0

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