data_[Ir2Pd2Pt2]
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 [Pm]
_cell_length_a [4.8143]
_cell_length_b [2.7731]
_cell_length_c [6.8130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2212]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [IrPdPt]
_chemical_formula_sum '[Ir2 Pd2 Pt2]'
_cell_volume [90.9559]
_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  1  0.1844  0.0000  0.2977  1.0
  Pd  Pd1  1  0.3515  0.5000  0.9608  1.0
  Ir  Ir2  1  0.5268  0.0000  0.6213  1.0
  Ir  Ir3  1  0.6812  0.5000  0.3038  1.0
  Pt  Pt4  1  0.0209  0.5000  0.6358  1.0
  Pt  Pt5  1  0.8423  0.0000  0.9734  1.0
]