data_[U3Fe9H18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [4.5563]
_cell_length_b [4.5563]
_cell_length_c [12.8867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [U(FeH2)3]
_chemical_formula_sum '[U3 Fe9 H18]'
_cell_volume [231.6850]
_cell_formula_units_Z [3]
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
[
  U  U0  3  0.0000  0.0000  0.8935  1
  Fe  Fe1  3  0.0000  0.0000  0.0631  1
  Fe  Fe2  3  0.0000  0.0000  0.3354  1
  Fe  Fe3  3  0.0000  0.0000  0.6816  1
  H  H4  9  0.0205  0.3759  0.0852  1
  H  H5  9  0.1638  0.8268  0.2575  1
]