data_[Li2Np1Fe1H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Np  1.3600  1.7500  1.0000
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.3566]
_cell_length_b [4.2897]
_cell_length_c [5.1423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2114]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2NpFeH8]
_chemical_formula_sum '[Li2 Np1 Fe1 H8]'
_cell_volume [91.7990]
_cell_formula_units_Z [1]
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
[
  Li  Li0  2  0.0774  0.5000  0.7781  1
  Np  Np1  1  0.5000  0.0000  0.5000  1
  Fe  Fe2  1  0.0000  0.0000  0.0000  1
  H  H3  4  0.2668  0.2570  0.1062  1
  H  H4  2  0.0710  0.0000  0.7098  1
  H  H5  2  0.3044  0.5000  0.5404  1
]