data_[Ir6W6]
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 [Cm]
_cell_length_a [10.2682]
_cell_length_b [2.7801]
_cell_length_c [6.6116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [IrW]
_chemical_formula_sum '[Ir6 W6]'
_cell_volume [183.0785]
_cell_formula_units_Z [6]
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  2  0.0068  0.0000  0.0027  1
  Ir  Ir1  2  0.3285  0.0000  0.6648  1
  Ir  Ir2  2  0.3886  0.0000  0.2754  1
  W  W3  2  0.0463  0.0000  0.6141  1
  W  W4  2  0.1671  0.5000  0.3306  1
  W  W5  2  0.2294  0.5000  0.9458  1
]