data_VIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIr2
_chemical_formula_sum   'V2 Ir4'
_cell_volume   85.5
_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  V4  1  0.0  0.47  0.35  1.0
  V  V5  1  0.14  0.23  0.05  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.7  1.0
  Ir  Ir2  1  0.0  0.47  0.05  1.0
  Ir  Ir3  1  0.14  0.23  0.35  1.0

data_VIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIr2
_chemical_formula_sum   'V2 Ir4'
_cell_volume   85.5
_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  0.0  0.47  0.35  1.0
  V  V1  1  0.14  0.23  0.05  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.7  1.0
  Ir  Ir4  1  0.0  0.47  0.05  1.0
  Ir  Ir5  1  0.14  0.23  0.35  1.0

V V Ir Ir Ir Ir