data_[Gd8P12H32O46]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9865]
_cell_length_b [13.2461]
_cell_length_c [13.7507]
_cell_angle_alpha [70.7471]
_cell_angle_beta [89.8485]
_cell_angle_gamma [75.5970]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Gd4P6H16O23]
_chemical_formula_sum '[Gd8 P12 H32 O46]'
_cell_volume [1159.2289]
_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  0.0233  0.8665  0.6281  1
  Gd  Gd1  2  0.1572  0.1177  0.0995  1
  Gd  Gd2  2  0.3260  0.3819  0.8986  1
  Gd  Gd3  2  0.4922  0.3621  0.6199  1
  P  P4  2  0.0064  0.6500  0.8808  1
  P  P5  2  0.0187  0.5884  0.3079  1
  P  P6  2  0.1188  0.8963  0.3517  1
  P  P7  2  0.3389  0.6003  0.6414  1
  P  P8  2  0.4821  0.0937  0.3151  1
  P  P9  2  0.4931  0.1464  0.8815  1
  H  H10  2  0.0136  0.2469  0.8752  1
  H  H11  2  0.0266  0.1439  0.6831  1
  H  H12  2  0.0566  0.4721  0.3447  1
  H  H13  2  0.1072  0.8460  0.1006  1
  H  H14  2  0.1173  0.3860  0.1738  1
  H  H15  2  0.1950  0.3029  0.5266  1
  H  H16  2  0.2284  0.9322  0.9615  1
  H  H17  2  0.2668  0.5760  0.0565  1
  H  H18  2  0.2680  0.5886  0.1666  1
  H  H19  2  0.2815  0.9036  0.8610  1
  H  H20  2  0.3570  0.2278  0.4798  1
  H  H21  2  0.3717  0.1026  0.8339  1
  H  H22  2  0.4064  0.6431  0.9046  1
  H  H23  2  0.4678  0.0231  0.6489  1
  H  H24  2  0.4772  0.2616  0.1261  1
  H  H25  2  0.4936  0.6399  0.6674  1
  O  O26  2  0.0087  0.1718  0.9228  1
  O  O27  2  0.0330  0.7629  0.8102  1
  O  O28  2  0.0457  0.9246  0.4488  1
  O  O29  2  0.0476  0.3735  0.8104  1
  O  O30  2  0.1003  0.3245  0.0281  1
  O  O31  2  0.1163  0.0103  0.2702  1
  O  O32  2  0.1465  0.6908  0.6268  1
  O  O33  2  0.1476  0.3651  0.6335  1
  O  O34  2  0.1696  0.9239  0.9003  1
  O  O35  2  0.2021  0.5586  0.9167  1
  O  O36  2  0.2168  0.6152  0.3195  1
  O  O37  2  0.3038  0.9405  0.0857  1
  O  O38  2  0.3090  0.1335  0.3745  1
  O  O39  2  0.3160  0.8103  0.3695  1
  O  O40  2  0.3247  0.2950  0.4981  1
  O  O41  2  0.3318  0.8719  0.6661  1
  O  O42  2  0.3451  0.4894  0.7278  1
  O  O43  2  0.3528  0.5766  0.1123  1
  O  O44  2  0.3894  0.5678  0.5440  1
  O  O45  2  0.3937  0.1711  0.9747  1
  O  O46  2  0.4263  0.1305  0.1963  1
  O  O47  2  0.4860  0.3319  0.0729  1
  O  O48  2  0.4953  0.7403  0.1944  1
]