data_[V8Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.2821]
_cell_length_b [7.7790]
_cell_length_c [3.9382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [VIr]
_chemical_formula_sum '[V8 Ir8]'
_cell_volume [223.0870]
_cell_formula_units_Z [8]
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  4  0.0000  0.2232  0.5000  1.0
  V  V1  2  0.0000  0.0000  0.0000  1.0
  V  V2  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir3  4  0.2304  0.5000  0.5000  1.0
  Ir  Ir4  4  0.2500  0.2500  0.0000  1.0
]