data_[Rb12Nb12H28O54]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nb  1.6000  1.4500  0.8200
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.7829]
_cell_length_b [10.6174]
_cell_length_c [17.2237]
_cell_angle_alpha [73.1364]
_cell_angle_beta [88.2808]
_cell_angle_gamma [65.0977]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Rb6Nb6H14O27]
_chemical_formula_sum '[Rb12 Nb12 H28 O54]'
_cell_volume [1544.1309]
_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
[
  Rb  Rb0  1  0.1098  0.3619  0.8522  1
  Rb  Rb1  1  0.1277  0.5964  0.4356  1
  Rb  Rb2  1  0.2834  0.7182  0.0353  1
  Rb  Rb3  1  0.4021  0.9561  0.8245  1
  Rb  Rb4  1  0.4314  0.2177  0.3650  1
  Rb  Rb5  1  0.4612  0.3771  0.7070  1
  Rb  Rb6  1  0.5350  0.6201  0.2928  1
  Rb  Rb7  1  0.5691  0.7812  0.6384  1
  Rb  Rb8  1  0.5986  0.0421  0.1755  1
  Rb  Rb9  1  0.7195  0.2807  0.9664  1
  Rb  Rb10  1  0.8727  0.4035  0.5615  1
  Rb  Rb11  1  0.8923  0.6371  0.1490  1
  Nb  Nb12  1  0.0122  0.7034  0.6544  1
  Nb  Nb13  1  0.0397  0.9538  0.1961  1
  Nb  Nb14  1  0.1372  0.9659  0.6388  1
  Nb  Nb15  1  0.1682  0.2126  0.1814  1
  Nb  Nb16  1  0.2125  0.6978  0.8147  1
  Nb  Nb17  1  0.2548  0.9351  0.3526  1
  Nb  Nb18  1  0.7453  0.0656  0.6480  1
  Nb  Nb19  1  0.7883  0.3030  0.1848  1
  Nb  Nb20  1  0.8324  0.7858  0.8179  1
  Nb  Nb21  1  0.8616  0.0354  0.3607  1
  Nb  Nb22  1  0.9601  0.0452  0.8038  1
  Nb  Nb23  1  0.9877  0.2967  0.3456  1
  H  H24  1  0.0703  0.6038  0.9736  1
  H  H25  1  0.1005  0.8718  0.4843  1
  H  H26  1  0.1138  0.0735  0.9461  1
  H  H27  1  0.1562  0.4719  0.0548  1
  H  H28  1  0.1618  0.2074  0.7058  1
  H  H29  1  0.1895  0.3444  0.6566  1
  H  H30  1  0.1921  0.0600  0.0292  1
  H  H31  1  0.2085  0.0778  0.4683  1
  H  H32  1  0.2722  0.2053  0.5354  1
  H  H33  1  0.3585  0.2831  0.0229  1
  H  H34  1  0.3722  0.9184  0.1352  1
  H  H35  1  0.3887  0.3918  0.9439  1
  H  H36  1  0.4004  0.2570  0.5424  1
  H  H37  1  0.4899  0.1771  0.9078  1
  H  H38  1  0.5105  0.8230  0.0921  1
  H  H39  1  0.5993  0.7429  0.4581  1
  H  H40  1  0.6131  0.6076  0.0564  1
  H  H41  1  0.6277  0.0816  0.8647  1
  H  H42  1  0.6405  0.7166  0.9767  1
  H  H43  1  0.7285  0.7931  0.4656  1
  H  H44  1  0.7918  0.9221  0.5320  1
  H  H45  1  0.8075  0.9397  0.9706  1
  H  H46  1  0.8100  0.6551  0.3428  1
  H  H47  1  0.8386  0.7915  0.2943  1
  H  H48  1  0.8430  0.5251  0.9453  1
  H  H49  1  0.8858  0.9268  0.0534  1
  H  H50  1  0.8992  0.1277  0.5154  1
  H  H51  1  0.9314  0.3966  0.0274  1
  O  O52  1  0.0247  0.1137  0.2778  1
  O  O53  1  0.0298  0.5783  0.5983  1
  O  O54  1  0.0451  0.6579  0.8701  1
  O  O55  1  0.0465  0.8356  0.1367  1
  O  O56  1  0.0816  0.0957  0.7101  1
  O  O57  1  0.0874  0.8907  0.4236  1
  O  O58  1  0.0962  0.5787  0.0333  1
  O  O59  1  0.1160  0.8247  0.5866  1
  O  O60  1  0.1243  0.3293  0.2615  1
  O  O61  1  0.1505  0.8678  0.8572  1
  O  O62  1  0.1655  0.0547  0.1384  1
  O  O63  1  0.1894  0.5951  0.7368  1
  O  O64  1  0.1942  0.1073  0.4070  1
  O  O65  1  0.2136  0.0384  0.9768  1
  O  O66  1  0.2170  0.2674  0.7092  1
  O  O67  1  0.2243  0.8311  0.2831  1
  O  O68  1  0.2423  0.5457  0.2775  1
  O  O69  1  0.2439  0.0415  0.5663  1
  O  O70  1  0.2810  0.2808  0.1106  1
  O  O71  1  0.2934  0.8076  0.7224  1
  O  O72  1  0.2966  0.2903  0.5157  1
  O  O73  1  0.3335  0.0486  0.2698  1
  O  O74  1  0.3809  0.5590  0.8837  1
  O  O75  1  0.3831  0.6418  0.5602  1
  O  O76  1  0.4068  0.2885  0.9707  1
  O  O77  1  0.4228  0.7952  0.4193  1
  O  O78  1  0.4811  0.8506  0.1425  1
  O  O79  1  0.5187  0.1491  0.8575  1
  O  O80  1  0.5773  0.2054  0.5804  1
  O  O81  1  0.5925  0.7115  0.0291  1
  O  O82  1  0.6182  0.3554  0.4423  1
  O  O83  1  0.6185  0.5562  0.8258  1
  O  O84  1  0.6252  0.4410  0.1150  1
  O  O85  1  0.6668  0.9513  0.7303  1
  O  O86  1  0.7026  0.7091  0.4856  1
  O  O87  1  0.7047  0.1936  0.2770  1
  O  O88  1  0.7178  0.7161  0.8881  1
  O  O89  1  0.7563  0.9587  0.4333  1
  O  O90  1  0.7758  0.1702  0.7163  1
  O  O91  1  0.7811  0.7339  0.2908  1
  O  O92  1  0.7861  0.9604  0.0233  1
  O  O93  1  0.8060  0.8928  0.5933  1
  O  O94  1  0.8111  0.4052  0.2631  1
  O  O95  1  0.8348  0.9434  0.8616  1
  O  O96  1  0.8513  0.1310  0.1429  1
  O  O97  1  0.8768  0.6708  0.7387  1
  O  O98  1  0.8838  0.1756  0.4129  1
  O  O99  1  0.9092  0.4198  0.9675  1
  O  O100  1  0.9122  0.1101  0.5759  1
  O  O101  1  0.9184  0.9056  0.2896  1
  O  O102  1  0.9551  0.1619  0.8634  1
  O  O103  1  0.9570  0.3420  0.1299  1
  O  O104  1  0.9678  0.4209  0.4023  1
  O  O105  1  0.9761  0.8865  0.7224  1
]