data_[Nd16Ir2Pd10]
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 [I-4]
_cell_length_a [9.0224]
_cell_length_b [9.0224]
_cell_length_c [9.0746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Nd8IrPd5]
_chemical_formula_sum '[Nd16 Ir2 Pd10]'
_cell_volume [738.7120]
_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  8  0.0560  0.6874  0.4413  1
  Nd  Nd1  8  0.0603  0.8023  0.8158  1
  Pd  Pd2  8  0.1222  0.7502  0.1302  1
  Pd  Pd3  2  0.0000  0.0000  0.5000  1
  Ir  Ir4  2  0.0000  0.5000  0.7500  1
]