data_[Pr4H64C8N44O68]
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
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.0730]
_cell_length_b [9.2797]
_cell_length_c [20.9328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrH16C2N11O17]
_chemical_formula_sum '[Pr4 H64 C8 N44 O68]'
_cell_volume [2141.8468]
_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  4  0.0000  0.3608  0.7500  1
  H  H1  8  0.1189  0.1597  0.0179  1
  H  H2  8  0.1321  0.3412  0.4981  1
  H  H3  8  0.1442  0.4213  0.4229  1
  H  H4  8  0.1503  0.0660  0.9173  1
  H  H5  8  0.2101  0.1071  0.0859  1
  H  H6  8  0.2194  0.0589  0.2311  1
  H  H7  8  0.2218  0.2263  0.2191  1
  H  H8  8  0.2481  0.4228  0.5879  1
  C  C9  8  0.2397  0.0004  0.5026  1
  N  N10  8  0.0259  0.2600  0.6070  1
  N  N11  8  0.0306  0.3751  0.1619  1
  N  N12  8  0.1764  0.4101  0.4702  1
  N  N13  8  0.1891  0.0996  0.0379  1
  N  N14  8  0.2046  0.0112  0.4398  1
  N  N15  4  0.0000  0.0298  0.7500  1
  O  O16  8  0.0300  0.2283  0.5489  1
  O  O17  8  0.0420  0.2791  0.1220  1
  O  O18  8  0.0633  0.4583  0.3422  1
  O  O19  8  0.0659  0.2256  0.8636  1
  O  O20  8  0.0951  0.1024  0.7394  1
  O  O21  8  0.1101  0.3992  0.2090  1
  O  O22  8  0.1121  0.3274  0.6385  1
  O  O23  8  0.2276  0.3610  0.7791  1
  O  O24  4  0.0000  0.1034  0.2500  1
]