data_[Ir8Pt4W4]
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 [Amm2]
_cell_length_a [4.4554]
_cell_length_b [5.5643]
_cell_length_c [9.6804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ir2PtW]
_chemical_formula_sum '[Ir8 Pt4 W4]'
_cell_volume [239.9892]
_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  0.2478  0.9151  1
  Ir  Ir1  2  0.0000  0.0000  0.8346  1
  Ir  Ir2  2  0.5000  0.0000  0.1706  1
  Pt  Pt3  4  0.0000  0.2468  0.5819  1
  W  W4  2  0.0000  0.0000  0.3315  1
  W  W5  2  0.5000  0.0000  0.6691  1
]