data_[Li2Pr1Al1H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4640]
_cell_length_b [4.5004]
_cell_length_c [5.8369]
_cell_angle_alpha [89.5497]
_cell_angle_beta [72.7352]
_cell_angle_gamma [86.6573]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2PrAlH8]
_chemical_formula_sum '[Li2 Pr1 Al1 H8]'
_cell_volume [111.7834]
_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  0.0720  0.4830  0.2487  1.0
  Pr  Pr1  1  0.5000  0.0000  0.5000  1.0
  Al  Al2  1  0.0000  0.0000  0.0000  1.0
  H  H3  2  0.0807  0.0338  0.2852  1.0
  H  H4  2  0.2269  0.2794  0.8662  1.0
  H  H5  2  0.2827  0.5136  0.4672  1.0
  H  H6  2  0.3194  0.7664  0.8771  1.0
]