data_[Pr8H20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.4438]
_cell_length_b [5.4438]
_cell_length_c [11.0182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Pr2H5]
_chemical_formula_sum '[Pr8 H20]'
_cell_volume [326.5190]
_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
[
  Pr  Pr0  8  0.0000  0.0000  0.2461  1
  H  H1  16  0.2318  0.2500  0.6250  1
  H  H2  4  0.0000  0.0000  0.0000  1
]