data_[Ni28Ir2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.2514]
_cell_length_b [5.1248]
_cell_length_c [8.7279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ni14IrPd]
_chemical_formula_sum '[Ni28 Ir2 Pd2]'
_cell_volume [369.0711]
_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
[
  Ni  Ni0  8  0.2422  0.2474  0.6261  1
  Ni  Ni1  4  0.0000  0.2491  0.4562  1
  Ni  Ni2  4  0.2421  0.0000  0.8729  1
  Ni  Ni3  4  0.2470  0.0000  0.3741  1
  Ni  Ni4  4  0.5000  0.2495  0.2934  1
  Ni  Ni5  2  0.0000  0.0000  0.2069  1
  Ni  Ni6  2  0.0000  0.0000  0.7066  1
  Pd  Pd7  2  0.5000  0.0000  0.0441  1
  Ir  Ir8  2  0.5000  0.0000  0.5446  1
]