data_[Pa2Fe2H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.9679]
_cell_length_b [4.3199]
_cell_length_c [5.6652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4709]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PaFeH3]
_chemical_formula_sum '[Pa2 Fe2 H6]'
_cell_volume [92.6270]
_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
[
  Pa  Pa0  2  0.1450  0.2500  0.2580  1
  Fe  Fe1  2  0.4139  0.2500  0.8381  1
  H  H2  4  0.3039  0.5191  0.6281  1
  H  H3  2  0.1503  0.7500  0.1596  1
]