data_[Pr4H40N4Cl8O32]
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
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [12.1554]
_cell_length_b [6.6036]
_cell_length_c [12.7230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [PrH10N(ClO4)2]
_chemical_formula_sum '[Pr4 H40 N4 Cl8 O32]'
_cell_volume [1019.8707]
_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  2  0.0000  0.2564  0.2500  1
  Pr  Pr1  2  0.5000  0.2817  0.7500  1
  H  H2  4  0.0116  0.1513  0.8721  1
  H  H3  4  0.1019  0.0558  0.5930  1
  H  H4  4  0.1220  0.4050  0.0507  1
  H  H5  4  0.2180  0.3644  0.1380  1
  H  H6  4  0.2192  0.0002  0.7691  1
  H  H7  4  0.2195  0.1084  0.3795  1
  H  H8  4  0.2854  0.4159  0.8735  1
  H  H9  4  0.3799  0.4005  0.9626  1
  H  H10  4  0.4121  0.1543  0.2823  1
  H  H11  4  0.4539  0.0995  0.3972  1
  N  N12  4  0.3136  0.1496  0.5874  1
  Cl  Cl13  4  0.1068  0.4382  0.8823  1
  Cl  Cl14  4  0.3909  0.3748  0.1478  1
  O  O15  4  0.0337  0.0274  0.6294  1
  O  O16  4  0.1368  0.3696  0.1256  1
  O  O17  4  0.1801  0.1007  0.3098  1
  O  O18  4  0.2338  0.1021  0.5259  1
  O  O19  4  0.3002  0.1701  0.6858  1
  O  O20  4  0.3662  0.4042  0.8855  1
  O  O21  4  0.4095  0.1810  0.5558  1
  O  O22  4  0.4235  0.0394  0.3315  1
]