data_[K4Si28H248C100O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Si  1.9000  1.1000  0.5400
  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 [10.7588]
_cell_length_b [20.3449]
_cell_length_c [21.9867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6615]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KSi7H62C25O6]
_chemical_formula_sum '[K4 Si28 H248 C100 O24]'
_cell_volume [4812.2582]
_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
[
  K  K0  4  0.0373  0.5312  0.2544  1
  Si  Si1  4  0.0032  0.2346  0.7315  1
  Si  Si2  4  0.1213  0.7428  0.4316  1
  Si  Si3  4  0.1287  0.6997  0.3314  1
  Si  Si4  4  0.3353  0.7405  0.3317  1
  Si  Si5  4  0.3422  0.7459  0.4405  1
  Si  Si6  4  0.4244  0.6497  0.4862  1
  Si  Si7  4  0.4357  0.6597  0.9845  1
  H  H8  4  0.0002  0.6877  0.1791  1
  H  H9  4  0.0239  0.0274  0.5774  1
  H  H10  4  0.0281  0.5386  0.4175  1
  H  H11  4  0.0300  0.1192  0.4007  1
  H  H12  4  0.0317  0.6207  0.8163  1
  H  H13  4  0.0500  0.1744  0.5689  1
  H  H14  4  0.0504  0.7110  0.5365  1
  H  H15  4  0.0562  0.2331  0.8429  1
  H  H16  4  0.0585  0.5280  0.5494  1
  H  H17  4  0.0595  0.1075  0.8854  1
  H  H18  4  0.0597  0.6560  0.9903  1
  H  H19  4  0.0618  0.1882  0.0201  1
  H  H20  4  0.0755  0.6401  0.4903  1
  H  H21  4  0.0945  0.6370  0.9124  1
  H  H22  4  0.0997  0.5405  0.0410  1
  H  H23  4  0.1061  0.7462  0.6695  1
  H  H24  4  0.1087  0.6284  0.7424  1
  H  H25  4  0.1197  0.0640  0.4472  1
  H  H26  4  0.1544  0.0622  0.9387  1
  H  H27  4  0.1643  0.0825  0.1244  1
  H  H28  4  0.1870  0.2339  0.6615  1
  H  H29  4  0.1992  0.2003  0.2145  1
  H  H30  4  0.2117  0.0634  0.6185  1
  H  H31  4  0.2153  0.1320  0.3342  1
  H  H32  4  0.2328  0.2175  0.7382  1
  H  H33  4  0.2412  0.1222  0.8195  1
  H  H34  4  0.2468  0.0158  0.0898  1
  H  H35  4  0.2666  0.5661  0.4501  1
  H  H36  4  0.2771  0.5712  0.9608  1
  H  H37  4  0.2816  0.6414  0.5764  1
  H  H38  4  0.2952  0.5032  0.0844  1
  H  H39  4  0.2967  0.0764  0.3841  1
  H  H40  4  0.3076  0.6389  0.8149  1
  H  H41  4  0.3087  0.5248  0.6941  1
  H  H42  4  0.3125  0.6483  0.0815  1
  H  H43  4  0.3199  0.5038  0.7999  1
  H  H44  4  0.3341  0.0777  0.8744  1
  H  H45  4  0.3429  0.1956  0.4998  1
  H  H46  4  0.3516  0.5438  0.1902  1
  H  H47  4  0.3524  0.6788  0.7467  1
  H  H48  4  0.3526  0.1095  0.5126  1
  H  H49  4  0.3573  0.1809  0.9845  1
  H  H50  4  0.3648  0.1653  0.5749  1
  H  H51  4  0.3655  0.1601  0.0630  1
  H  H52  4  0.3658  0.0971  0.0068  1
  H  H53  4  0.3703  0.0545  0.1746  1
  H  H54  4  0.3722  0.5100  0.2978  1
  H  H55  4  0.3880  0.5770  0.9017  1
  H  H56  4  0.3908  0.0742  0.2836  1
  H  H57  4  0.3942  0.5691  0.4000  1
  H  H58  4  0.4113  0.5295  0.4720  1
  H  H59  4  0.4150  0.0349  0.6701  1
  H  H60  4  0.4183  0.5933  0.5867  1
  H  H61  4  0.4241  0.6798  0.5973  1
  H  H62  4  0.4292  0.0688  0.7741  1
  H  H63  4  0.4297  0.5389  0.9720  1
  H  H64  4  0.4387  0.6330  0.3095  1
  H  H65  4  0.4402  0.6855  0.2445  1
  H  H66  4  0.4487  0.6961  0.0938  1
  H  H67  4  0.4505  0.1987  0.1950  1
  H  H68  4  0.4603  0.6092  0.0873  1
  H  H69  4  0.4679  0.6619  0.8040  1
  C  C70  4  0.0091  0.5114  0.5906  1
  C  C71  4  0.0128  0.7408  0.1856  1
  C  C72  4  0.0386  0.6904  0.4905  1
  C  C73  4  0.0411  0.6484  0.7740  1
  C  C74  4  0.0499  0.6724  0.9427  1
  C  C75  4  0.0535  0.5243  0.0832  1
  C  C76  4  0.0584  0.0674  0.4065  1
  C  C77  4  0.0962  0.0582  0.8969  1
  C  C78  4  0.1715  0.2480  0.7092  1
  C  C79  4  0.1966  0.0314  0.1311  1
  C  C80  4  0.2351  0.0796  0.3435  1
  C  C81  4  0.2432  0.0123  0.6251  1
  C  C82  4  0.2725  0.0728  0.8340  1
  C  C83  4  0.2842  0.0271  0.1850  1
  C  C84  4  0.3011  0.0487  0.2904  1
  C  C85  4  0.3280  0.0081  0.6802  1
  C  C86  4  0.3441  0.0401  0.7837  1
  C  C87  4  0.3681  0.5715  0.4481  1
  C  C88  4  0.3701  0.6761  0.7962  1
  C  C89  4  0.3759  0.5794  0.9512  1
  C  C90  4  0.3826  0.6406  0.5694  1
  C  C91  4  0.3898  0.1576  0.5271  1
  C  C92  4  0.3994  0.1469  0.0176  1
  C  C93  4  0.4112  0.6530  0.0697  1
  C  C94  4  0.4533  0.6838  0.2944  1
  O  O95  4  0.0932  0.5110  0.6413  1
  O  O96  4  0.1222  0.0446  0.3539  1
  O  O97  4  0.1382  0.5298  0.1334  1
  O  O98  4  0.1680  0.0327  0.8482  1
  O  O99  4  0.2254  0.0549  0.2369  1
  O  O100  4  0.2669  0.0372  0.7306  1
]