data_[Pu2Pa3H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Pa  1.5000  1.8000  1.0400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6011]
_cell_length_b [3.2870]
_cell_length_c [8.3397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9193]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pu2Pa3H8]
_chemical_formula_sum '[Pu2 Pa3 H8]'
_cell_volume [171.1771]
_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
[
  Pu  Pu0  2  0.4752  0.5000  0.7336  1
  Pa  Pa1  2  0.0719  0.0000  0.3506  1
  Pa  Pa2  1  0.0000  0.5000  0.0000  1
  H  H3  2  0.1635  0.5000  0.8009  1
  H  H4  2  0.2497  0.0000  0.1466  1
  H  H5  2  0.2536  0.0000  0.6244  1
  H  H6  2  0.3224  0.5000  0.4437  1
]