data_[Gd2H14C4S2O16]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6459]
_cell_length_b [6.7470]
_cell_length_c [8.4349]
_cell_angle_alpha [69.8656]
_cell_angle_beta [89.7283]
_cell_angle_gamma [72.3875]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [GdH7C2SO8]
_chemical_formula_sum '[Gd2 H14 C4 S2 O16]'
_cell_volume [336.3639]
_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
[
  Gd  Gd0  2  0.1145  0.6564  0.1334  1
  H  H1  2  0.0849  0.0056  0.7073  1
  H  H2  2  0.1084  0.8060  0.4323  1
  H  H3  2  0.1685  0.3157  0.5046  1
  H  H4  2  0.3970  0.3257  0.4432  1
  H  H5  2  0.4124  0.0685  0.8207  1
  H  H6  2  0.4264  0.8475  0.3377  1
  H  H7  2  0.4913  0.0955  0.3079  1
  C  C8  2  0.2631  0.1175  0.1204  1
  C  C9  2  0.4539  0.9930  0.2446  1
  S  S10  2  0.3059  0.5861  0.7492  1
  O  O11  2  0.0091  0.1686  0.6537  1
  O  O12  2  0.1692  0.4529  0.7405  1
  O  O13  2  0.1734  0.3258  0.0819  1
  O  O14  2  0.1817  0.0175  0.0457  1
  O  O15  2  0.2133  0.7334  0.8472  1
  O  O16  2  0.2427  0.3822  0.4088  1
  O  O17  2  0.3198  0.7323  0.5743  1
  O  O18  2  0.4806  0.5644  0.1688  1
]