data_[Ir2Pd4Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6456]
_cell_length_b [12.2722]
_cell_length_c [5.3101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.9274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ir(PdPt4)2]
_chemical_formula_sum '[Ir2 Pd4 Pt16]'
_cell_volume [364.8141]
_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
[
  Pd  Pd0  4  0.0000  0.3068  0.0000  1
  Ir  Ir1  2  0.0000  0.0000  0.5000  1
  Pt  Pt2  8  0.2047  0.1103  0.3237  1
  Pt  Pt3  4  0.0000  0.2220  0.5000  1
  Pt  Pt4  4  0.1025  0.5000  0.8670  1
]