data_VIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIr
_chemical_formula_sum   'V2 Ir2'
_cell_volume   55.59
_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  V0  1  0.72  0.0  0.0  1.0
  V  V1  1  0.1  0.0  0.0  1.0
  Ir  Ir2  1  0.91  0.92  0.41  1.0
  Ir  Ir3  1  0.91  0.08  0.41  1.0

data_VIr
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.46
_cell_length_b   2.82
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   98.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   VIr
_chemical_formula_sum   'V2 Ir2'
_cell_volume   55.59
_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  0.31  0.0  0.0  1.0
  Ir  Ir1  2  0.5  0.59  0.08  1.0

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