data_VIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   3.71
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIr
_chemical_formula_sum   'V2 Ir2'
_cell_volume   56.66
_cell_formula_units_Z   2
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  0.0  0.0  0.76  1.0
  V  V3  1  0.39  0.85  0.74  1.0
  Ir  Ir0  1  0.0  0.0  0.59  1.0
  Ir  Ir1  1  0.39  0.85  0.91  1.0

data_VIr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.78
_cell_length_b   3.71
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VIr
_chemical_formula_sum   'V2 Ir2'
_cell_volume   56.66
_cell_formula_units_Z   2
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  0.2  0.43  0.49  1.0
  Ir  Ir1  2  0.2  0.43  0.66  1.0

V V Ir Ir
V V Ir Ir 0 2 o o o 1 3 o o o 