data_[Na4Mo8H100C32O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.3603]
_cell_length_b [14.5415]
_cell_length_c [15.0790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7388]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaMo2H25(C4O5)2]
_chemical_formula_sum '[Na4 Mo8 H100 C32 O40]'
_cell_volume [2028.6265]
_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
[
  Na  Na0  4  0.2124  0.2246  0.3374  1
  Mo  Mo1  4  0.0951  0.6998  0.0618  1
  Mo  Mo2  4  0.4299  0.7016  0.0694  1
  H  H3  4  0.0067  0.0140  0.6530  1
  H  H4  4  0.0371  0.0469  0.2515  1
  H  H5  4  0.0818  0.5808  0.5643  1
  H  H6  4  0.0828  0.0627  0.8916  1
  H  H7  4  0.0879  0.2260  0.6450  1
  H  H8  4  0.0879  0.0968  0.0061  1
  H  H9  4  0.1386  0.6262  0.4152  1
  H  H10  4  0.1421  0.5529  0.2210  1
  H  H11  4  0.1646  0.0257  0.5401  1
  H  H12  4  0.1867  0.6784  0.7506  1
  H  H13  4  0.2341  0.7193  0.3732  1
  H  H14  4  0.2430  0.5253  0.9504  1
  H  H15  4  0.2698  0.2262  0.0685  1
  H  H16  4  0.2872  0.6248  0.6732  1
  H  H17  4  0.3259  0.1741  0.6338  1
  H  H18  4  0.3307  0.6218  0.4233  1
  H  H19  4  0.3564  0.0243  0.5446  1
  H  H20  4  0.3587  0.0436  0.2417  1
  H  H21  4  0.3795  0.6843  0.7692  1
  H  H22  4  0.3821  0.2147  0.1752  1
  H  H23  4  0.3861  0.0595  0.8675  1
  H  H24  4  0.4067  0.0874  0.9843  1
  H  H25  4  0.4380  0.5792  0.5710  1
  H  H26  4  0.4382  0.5109  0.8435  1
  H  H27  4  0.4498  0.5481  0.2242  1
  C  C28  4  0.0265  0.5497  0.1927  1
  C  C29  4  0.0297  0.1057  0.9371  1
  C  C30  4  0.2381  0.6677  0.4268  1
  C  C31  4  0.2563  0.5146  0.0235  1
  C  C32  4  0.2831  0.6850  0.7174  1
  C  C33  4  0.2927  0.2464  0.6374  1
  C  C34  4  0.4449  0.0495  0.3001  1
  C  C35  4  0.4482  0.1015  0.9209  1
  O  O36  4  0.0167  0.1290  0.3598  1
  O  O37  4  0.0255  0.6723  0.9508  1
  O  O38  4  0.0338  0.1987  0.9095  1
  O  O39  4  0.1696  0.2439  0.1831  1
  O  O40  4  0.2526  0.7089  0.5137  1
  O  O41  4  0.2635  0.6005  0.0701  1
  O  O42  4  0.2773  0.7311  0.1676  1
  O  O43  4  0.4250  0.1330  0.3454  1
  O  O44  4  0.4314  0.1954  0.8971  1
  O  O45  4  0.4586  0.6688  0.9634  1
]