data_[Zr2Np4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Np  1.3600  1.7500  1.0000
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6925]
_cell_length_b [4.6122]
_cell_length_c [11.5362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Zr(NpH4)2]
_chemical_formula_sum '[Zr2 Np4 H16]'
_cell_volume [196.4671]
_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
[
  Zr  Zr0  2  0.0000  0.5000  0.5000  1
  Np  Np1  4  0.0000  0.5000  0.1736  1
  H  H2  8  0.0000  0.2581  0.3530  1
  H  H3  4  0.0000  0.0000  0.2066  1
  H  H4  4  0.0000  0.2445  0.0000  1
]