data_[Nd4Pu2H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pu  1.2800  1.7500  0.9675
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.7755]
_cell_length_b [5.4487]
_cell_length_c [11.2769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd2PuH8]
_chemical_formula_sum '[Nd4 Pu2 H16]'
_cell_volume [231.9801]
_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  0.0000  0.5000  0.1700  1
  Pu  Pu1  2  0.0000  0.5000  0.5000  1
  H  H2  8  0.0000  0.2408  0.3430  1
  H  H3  4  0.0000  0.0000  0.1567  1
  H  H4  4  0.0000  0.2619  0.0000  1
]