data_[Ir4Rh16W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.9855]
_cell_length_b [10.1763]
_cell_length_c [4.1530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ir2Rh8W]
_chemical_formula_sum '[Ir4 Rh16 W2]'
_cell_volume [337.4860]
_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
[
  Ir  Ir0  4  0.0000  0.3780  0.0000  1
  Rh  Rh1  8  0.1653  0.1312  0.0000  1
  Rh  Rh2  4  0.0000  0.2477  0.5000  1
  Rh  Rh3  4  0.1706  0.5000  0.5000  1
  W  W4  2  0.0000  0.0000  0.5000  1
]