data_[Pu4Be12H36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Be  1.5700  1.0500  0.5900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [7.4344]
_cell_length_b [10.0572]
_cell_length_c [6.5806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [Pu(BeH3)3]
_chemical_formula_sum '[Pu4 Be12 H36]'
_cell_volume [492.0300]
_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
[
  Pu  Pu0  4  0.1601  0.5000  0.0000  1
  Be  Be1  8  0.0179  0.1739  0.9428  1
  Be  Be2  4  0.2461  0.5000  0.5000  1
  H  H3  8  0.0416  0.3114  0.9309  1
  H  H4  8  0.1153  0.4732  0.3415  1
  H  H5  8  0.1429  0.1552  0.4483  1
  H  H6  8  0.1590  0.1153  0.0647  1
  H  H7  4  0.0000  0.0995  0.7500  1
]