data_[Nd16Ir2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9672]
_cell_length_b [5.1755]
_cell_length_c [6.9354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8IrPd2]
_chemical_formula_sum '[Nd16 Ir2 Pd4]'
_cell_volume [634.0513]
_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
[
  Nd  Nd0  4  0.0337  0.0000  0.7836  1.0
  Nd  Nd1  4  0.0867  0.5000  0.4342  1.0
  Nd  Nd2  4  0.1631  0.5000  0.9712  1.0
  Nd  Nd3  4  0.2027  0.0000  0.3324  1.0
  Pd  Pd4  4  0.1960  0.0000  0.7416  1.0
  Ir  Ir5  2  0.0000  0.5000  0.0000  1.0
]