data_[Ir8W8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.7129]
_cell_length_b [4.4759]
_cell_length_c [5.6088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [IrW]
_chemical_formula_sum '[Ir8 W8]'
_cell_volume [243.8336]
_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
[
  Ir  Ir0  4  0.0803  0.2500  0.7571  1.0
  Ir  Ir1  4  0.1681  0.7500  0.4957  1.0
  W  W2  4  0.0806  0.2500  0.2522  1.0
  W  W3  4  0.1675  0.7500  0.9962  1.0
]