data_[Ir4Pd4Pt4]
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]
_cell_length_a [4.8230]
_cell_length_b [8.3318]
_cell_length_c [4.7961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [IrPdPt]
_chemical_formula_sum '[Ir4 Pd4 Pt4]'
_cell_volume [181.7516]
_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
[
  Pd  Pd0  2  0.0000  0.1396  0.5000  1.0
  Ir  Ir1  2  0.0000  0.3054  0.0000  1.0
  Pd  Pd2  2  0.0000  0.4721  0.5000  1.0
  Ir  Ir3  2  0.0000  0.9703  0.0000  1.0
  Pt  Pt4  2  0.0000  0.6398  0.0000  1.0
  Pt  Pt5  2  0.0000  0.8088  0.5000  1.0
]