data_[Ir4Rh8W4]
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 [Amm2]
_cell_length_a [4.4055]
_cell_length_b [5.5335]
_cell_length_c [9.5647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [IrRh2W]
_chemical_formula_sum '[Ir4 Rh8 W4]'
_cell_volume [233.1650]
_cell_formula_units_Z [4]
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  0.5000  0.2487  0.0836  1.0
  Rh  Rh1  4  0.0000  0.2498  0.4159  1.0
  Rh  Rh2  2  0.0000  0.0000  0.1664  1.0
  Rh  Rh3  2  0.5000  0.0000  0.8336  1.0
  W  W4  2  0.0000  0.0000  0.6662  1.0
  W  W5  2  0.5000  0.0000  0.3346  1.0
]