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 [Pnma]
_cell_length_a [10.3028]
_cell_length_b [4.1286]
_cell_length_c [5.3202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [VIr]
_chemical_formula_sum '[V8 Ir8]'
_cell_volume [226.2987]
_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  0.0535  0.2500  0.3846  1.0
  V  V1  4  0.1764  0.7500  0.1552  1.0
  Ir  Ir2  4  0.0729  0.2500  0.8809  1.0
  Ir  Ir3  4  0.1908  0.7500  0.6242  1.0
]