data_VGa2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.87
_cell_angle_alpha   100.49
_cell_angle_beta   100.49
_cell_angle_gamma   36.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGa2Ir
_chemical_formula_sum   'V1 Ga2 Ir1'
_cell_volume   58.28
_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  0.43  0.0  0.57  1.0
  Ga  Ga1  1  0.23  0.0  0.21  1.0
  Ir  Ir2  1  0.83  0.0  0.39  1.0

data_VGa2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.53
_cell_length_c   4.87
_cell_angle_alpha   100.49
_cell_angle_beta   90.0
_cell_angle_gamma   108.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGa2Ir
_chemical_formula_sum   'V1 Ga2 Ir1'
_cell_volume   58.28
_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  0.0  0.57  0.43  1.0
  Ga  Ga2  1  0.0  0.77  0.79  1.0
  Ir  Ir3  1  0.0  0.17  0.61  1.0

V Ga Ga Ir