data_[Na18Cr4H54O42]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cr  1.6600  1.4000  0.9400
  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 [8.8056]
_cell_length_b [11.5077]
_cell_length_c [11.7303]
_cell_angle_alpha [74.7024]
_cell_angle_beta [87.6926]
_cell_angle_gamma [70.0693]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na9Cr2(H9O7)3]
_chemical_formula_sum '[Na18 Cr4 H54 O42]'
_cell_volume [1076.2505]
_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
[
  Na  Na0  2  0.0056  0.3988  0.6228  1
  Na  Na1  2  0.2016  0.3289  0.3631  1
  Na  Na2  2  0.2022  0.3244  0.8663  1
  Na  Na3  2  0.3922  0.7765  0.6211  1
  Na  Na4  2  0.4028  0.7790  0.1204  1
  Na  Na5  2  0.4029  0.0338  0.8675  1
  Na  Na6  2  0.4041  0.5149  0.8816  1
  Na  Na7  2  0.4197  0.5116  0.3730  1
  Na  Na8  2  0.4212  0.0293  0.3653  1
  Cr  Cr9  2  0.4021  0.2772  0.6222  1
  Cr  Cr10  2  0.4095  0.2737  0.1253  1
  H  H11  2  0.0059  0.0921  0.1895  1
  H  H12  2  0.0092  0.0613  0.6983  1
  H  H13  2  0.0311  0.4618  0.1894  1
  H  H14  2  0.0465  0.7941  0.4452  1
  H  H15  2  0.0522  0.7451  0.9706  1
  H  H16  2  0.0732  0.7252  0.5864  1
  H  H17  2  0.1116  0.0290  0.0355  1
  H  H18  2  0.1188  0.6108  0.7404  1
  H  H19  2  0.1241  0.5888  0.0286  1
  H  H20  2  0.1249  0.0562  0.4919  1
  H  H21  2  0.1291  0.6876  0.1702  1
  H  H22  2  0.1338  0.4068  0.0284  1
  H  H23  2  0.1410  0.9416  0.9451  1
  H  H24  2  0.1448  0.7637  0.2668  1
  H  H25  2  0.1492  0.7338  0.7782  1
  H  H26  2  0.1517  0.9457  0.4278  1
  H  H27  2  0.1604  0.2093  0.1809  1
  H  H28  2  0.1985  0.1586  0.6953  1
  H  H29  2  0.2170  0.5079  0.5386  1
  H  H30  2  0.2891  0.1552  0.5286  1
  H  H31  2  0.3034  0.4613  0.7135  1
  H  H32  2  0.3052  0.8730  0.7949  1
  H  H33  2  0.3180  0.7215  0.9481  1
  H  H34  2  0.3189  0.8822  0.2860  1
  H  H35  2  0.3200  0.7206  0.4383  1
  H  H36  2  0.3210  0.4655  0.1933  1
  H  H37  2  0.3245  0.1205  0.0536  1
  O  O38  2  0.0037  0.7405  0.5156  1
  O  O39  2  0.0367  0.5272  0.7439  1
  O  O40  2  0.0438  0.6712  0.0392  1
  O  O41  2  0.0776  0.8604  0.8735  1
  O  O42  2  0.0958  0.8786  0.3365  1
  O  O43  2  0.1875  0.6793  0.2444  1
  O  O44  2  0.1938  0.6733  0.7292  1
  O  O45  2  0.1971  0.9772  0.9949  1
  O  O46  2  0.2020  0.9730  0.4882  1
  O  O47  2  0.2273  0.4339  0.5094  1
  O  O48  2  0.2290  0.2215  0.7212  1
  O  O49  2  0.2301  0.4314  0.0232  1
  O  O50  2  0.2497  0.2093  0.2266  1
  O  O51  2  0.3919  0.1686  0.5109  1
  O  O52  2  0.3979  0.1632  0.0136  1
  O  O53  2  0.4028  0.3875  0.7343  1
  O  O54  2  0.4081  0.3886  0.2349  1
  O  O55  2  0.4116  0.8749  0.7684  1
  O  O56  2  0.4266  0.6664  0.4749  1
  O  O57  2  0.4271  0.6659  0.9790  1
  O  O58  2  0.4311  0.8727  0.2661  1
]