data_[Gd4H88C28N4Cl8O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  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_1/c]
_cell_length_a [9.3139]
_cell_length_b [15.4416]
_cell_length_c [12.6518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [GdH22C7NCl2O9]
_chemical_formula_sum '[Gd4 H88 C28 N4 Cl8 O36]'
_cell_volume [1666.1371]
_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
[
  Gd  Gd0  4  0.4949  0.0106  0.7479  1
  H  H1  4  0.0306  0.1215  0.3603  1
  H  H2  4  0.0446  0.1621  0.9990  1
  H  H3  4  0.0514  0.7271  0.9636  1
  H  H4  4  0.0822  0.6607  0.7658  1
  H  H5  4  0.1287  0.1121  0.9100  1
  H  H6  4  0.1288  0.1929  0.2457  1
  H  H7  4  0.1339  0.5598  0.9740  1
  H  H8  4  0.1348  0.0416  0.6537  1
  H  H9  4  0.1366  0.7268  0.2836  1
  H  H10  4  0.1460  0.0050  0.1424  1
  H  H11  4  0.1758  0.7072  0.6804  1
  H  H12  4  0.1764  0.1610  0.4934  1
  H  H13  4  0.1770  0.5130  0.2699  1
  H  H14  4  0.1825  0.6685  0.0843  1
  H  H15  4  0.1836  0.1940  0.7692  1
  H  H16  4  0.1874  0.5353  0.5423  1
  H  H17  4  0.2415  0.1896  0.0183  1
  H  H18  4  0.2902  0.2266  0.3754  1
  H  H19  4  0.4131  0.7107  0.5260  1
  H  H20  4  0.4312  0.7143  0.9481  1
  H  H21  4  0.4604  0.6690  0.1258  1
  H  H22  4  0.4883  0.1850  0.2400  1
  C  C23  4  0.0573  0.1714  0.4273  1
  C  C24  4  0.0623  0.6697  0.0180  1
  C  C25  4  0.0949  0.7196  0.7218  1
  C  C26  4  0.1242  0.1718  0.9557  1
  C  C27  4  0.1750  0.2446  0.3101  1
  C  C28  4  0.4091  0.5059  0.9711  1
  C  C29  4  0.4923  0.5501  0.4934  1
  N  N30  4  0.0637  0.2435  0.8686  1
  Cl  Cl31  4  0.0667  0.5662  0.3676  1
  Cl  Cl32  4  0.4565  0.1814  0.6693  1
  O  O33  4  0.0349  0.5931  0.9483  1
  O  O34  4  0.2223  0.0130  0.7179  1
  O  O35  4  0.2331  0.5198  0.6258  1
  O  O36  4  0.3376  0.5091  0.0381  1
  O  O37  4  0.3463  0.5115  0.8627  1
  O  O38  4  0.3897  0.7275  0.0069  1
  O  O39  4  0.4836  0.5923  0.5767  1
  O  O40  4  0.4899  0.5818  0.4007  1
  O  O41  4  0.4990  0.6390  0.2031  1
]