data_[Pr2H16C12O20]
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
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.1178]
_cell_length_b [8.4010]
_cell_length_c [8.9604]
_cell_angle_alpha [95.8099]
_cell_angle_beta [115.2382]
_cell_angle_gamma [110.2960]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PrH8(C3O5)2]
_chemical_formula_sum '[Pr2 H16 C12 O20]'
_cell_volume [495.5741]
_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
[
  Pr  Pr0  2  0.0874  0.0251  0.2781  1
  H  H1  2  0.0466  0.6672  0.6983  1
  H  H2  2  0.1013  0.7907  0.5817  1
  H  H3  2  0.1570  0.7163  0.4006  1
  H  H4  2  0.2049  0.3103  0.1147  1
  H  H5  2  0.2324  0.4485  0.5210  1
  H  H6  2  0.3586  0.8844  0.5555  1
  H  H7  2  0.3682  0.5801  0.4675  1
  H  H8  2  0.4118  0.3675  0.2950  1
  C  C9  2  0.1289  0.4437  0.8773  1
  C  C10  2  0.3156  0.5792  0.0175  1
  C  C11  2  0.3342  0.9981  0.1174  1
  C  C12  2  0.3604  0.2184  0.6816  1
  C  C13  2  0.4569  0.0006  0.0406  1
  C  C14  2  0.4684  0.6754  0.1517  1
  O  O15  2  0.0134  0.7532  0.6355  1
  O  O16  2  0.0257  0.4800  0.7461  1
  O  O17  2  0.0816  0.2904  0.9013  1
  O  O18  2  0.1535  0.9731  0.0172  1
  O  O19  2  0.1897  0.1312  0.6682  1
  O  O20  2  0.2132  0.8426  0.4689  1
  O  O21  2  0.2604  0.3123  0.2379  1
  O  O22  2  0.3460  0.5675  0.5659  1
  O  O23  2  0.3946  0.2219  0.5559  1
  O  O24  2  0.4028  0.0209  0.2781  1
]