data_[Ir4Pt4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Pt  2.2800  1.3500  0.8050
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7687]
_cell_length_b [3.9199]
_cell_length_c [5.6566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0966]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [IrPtW]
_chemical_formula_sum '[Ir4 Pt4 W4]'
_cell_volume [184.8154]
_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  0.0118  0.5000  0.7728  1
  Pt  Pt1  4  0.1709  0.0000  0.5898  1
  W  W2  4  0.1657  0.0000  0.0993  1
]