data_[Nd24H96Ir40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [11.9024]
_cell_length_b [11.9024]
_cell_length_c [11.9024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Nd3H12Ir5]
_chemical_formula_sum '[Nd24 H96 Ir40]'
_cell_volume [1686.1684]
_cell_formula_units_Z [8]
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  24  0.0000  0.2500  0.1250  1
  H  H1  96  0.0421  0.0480  0.6366  1
  Ir  Ir2  24  0.0000  0.2500  0.3750  1
  Ir  Ir3  16  0.0000  0.0000  0.0000  1
]