data_[Np4U4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  U  1.3800  1.7500  0.9913
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5198]
_cell_length_b [11.2887]
_cell_length_c [5.0417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NpUH3]
_chemical_formula_sum '[Np4 U4 H12]'
_cell_volume [200.3261]
_cell_formula_units_Z [4]
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
[
  Np  Np0  4  0.0000  0.3757  0.2574  1
  U  U1  4  0.0000  0.1257  0.1064  1
  H  H2  4  0.0000  0.0652  0.5402  1
  H  H3  4  0.0000  0.2259  0.5380  1
  H  H4  4  0.0000  0.4273  0.8360  1
]