data_[Ir12Rh4W4]
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 [C2/m]
_cell_length_a [17.0196]
_cell_length_b [2.7695]
_cell_length_c [6.5135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ir3RhW]
_chemical_formula_sum '[Ir12 Rh4 W4]'
_cell_volume [295.5159]
_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  0.0196  0.0000  0.2291  1
  Ir  Ir1  4  0.1831  0.0000  0.3840  1
  Ir  Ir2  4  0.2154  0.0000  0.8147  1
  Rh  Rh3  4  0.1142  0.5000  0.0144  1
  W  W4  4  0.0847  0.5000  0.5924  1
]