data_[Si30O60]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [11.1201]
_cell_length_b [11.2358]
_cell_length_c [11.5075]
_cell_angle_alpha [89.2530]
_cell_angle_beta [89.5928]
_cell_angle_gamma [89.5839]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SiO2]
_chemical_formula_sum '[Si30 O60]'
_cell_volume [1437.5766]
_cell_formula_units_Z [30]
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
[
  Si  Si0  1  0.0214  0.2624  0.3650  1
  Si  Si1  1  0.0552  0.0943  0.1660  1
  Si  Si2  1  0.0578  0.5234  0.9840  1
  Si  Si3  1  0.0908  0.7006  0.1856  1
  Si  Si4  1  0.1022  0.6484  0.7563  1
  Si  Si5  1  0.1064  0.3376  0.0724  1
  Si  Si6  1  0.1105  0.5237  0.4015  1
  Si  Si7  1  0.2569  0.8967  0.1099  1
  Si  Si8  1  0.2841  0.8425  0.8394  1
  Si  Si9  1  0.3106  0.5686  0.5778  1
  Si  Si10  1  0.3192  0.2897  0.2354  1
  Si  Si11  1  0.3550  0.9986  0.6430  1
  Si  Si12  1  0.3884  0.1759  0.4575  1
  Si  Si13  1  0.4282  0.0573  0.2268  1
  Si  Si14  1  0.4929  0.3522  0.6339  1
  Si  Si15  1  0.5055  0.7811  0.5584  1
  Si  Si16  1  0.5152  0.1607  0.7978  1
  Si  Si17  1  0.5693  0.7979  0.8086  1
  Si  Si18  1  0.5843  0.3662  0.1836  1
  Si  Si19  1  0.6052  0.1451  0.0468  1
  Si  Si20  1  0.6943  0.6214  0.1708  1
  Si  Si21  1  0.7247  0.7347  0.9998  1
  Si  Si22  1  0.7308  0.7454  0.3969  1
  Si  Si23  1  0.7533  0.9734  0.9099  1
  Si  Si24  1  0.7711  0.2779  0.3679  1
  Si  Si25  1  0.7712  0.3876  0.6209  1
  Si  Si26  1  0.7921  0.1360  0.7170  1
  Si  Si27  1  0.8863  0.0812  0.4765  1
  Si  Si28  1  0.9100  0.6244  0.5775  1
  Si  Si29  1  0.9135  0.9095  0.2875  1
  O  O30  1  0.0022  0.5729  0.4815  1
  O  O31  1  0.0310  0.5622  0.8497  1
  O  O32  1  0.0601  0.6463  0.0583  1
  O  O33  1  0.0619  0.1986  0.0632  1
  O  O34  1  0.0915  0.1637  0.2852  1
  O  O35  1  0.0946  0.3805  0.3957  1
  O  O36  1  0.1045  0.5896  0.2758  1
  O  O37  1  0.1496  0.9911  0.1333  1
  O  O38  1  0.1730  0.4240  0.9717  1
  O  O39  1  0.1753  0.7460  0.8323  1
  O  O40  1  0.1994  0.3515  0.1820  1
  O  O41  1  0.2071  0.5836  0.6783  1
  O  O42  1  0.2185  0.7676  0.1629  1
  O  O43  1  0.2422  0.5510  0.4551  1
  O  O44  1  0.2556  0.9282  0.7242  1
  O  O45  1  0.2792  0.8996  0.9691  1
  O  O46  1  0.3048  0.1016  0.5527  1
  O  O47  1  0.3129  0.2716  0.3776  1
  O  O48  1  0.3339  0.1586  0.1771  1
  O  O49  1  0.3746  0.9303  0.1871  1
  O  O50  1  0.3935  0.4541  0.6090  1
  O  O51  1  0.4007  0.6811  0.5616  1
  O  O52  1  0.4233  0.7914  0.8285  1
  O  O53  1  0.4347  0.9086  0.5625  1
  O  O54  1  0.4368  0.0568  0.7420  1
  O  O55  1  0.4393  0.3649  0.2022  1
  O  O56  1  0.4464  0.0785  0.3664  1
  O  O57  1  0.4593  0.2896  0.7591  1
  O  O58  1  0.4884  0.2513  0.5305  1
  O  O59  1  0.5113  0.1464  0.9381  1
  O  O60  1  0.5564  0.0770  0.1627  1
  O  O61  1  0.5933  0.7700  0.6719  1
  O  O62  1  0.5938  0.7709  0.4446  1
  O  O63  1  0.6152  0.5037  0.1573  1
  O  O64  1  0.6276  0.4072  0.6461  1
  O  O65  1  0.6296  0.9260  0.8455  1
  O  O66  1  0.6311  0.7448  0.1148  1
  O  O67  1  0.6321  0.2839  0.0766  1
  O  O68  1  0.6445  0.6993  0.8862  1
  O  O69  1  0.6485  0.1485  0.7397  1
  O  O70  1  0.6507  0.3169  0.3004  1
  O  O71  1  0.7237  0.0693  0.0105  1
  O  O72  1  0.7317  0.6323  0.3068  1
  O  O73  1  0.7723  0.1345  0.3994  1
  O  O74  1  0.7782  0.8583  0.3165  1
  O  O75  1  0.7810  0.3576  0.4840  1
  O  O76  1  0.7992  0.6231  0.0634  1
  O  O77  1  0.8094  0.8508  0.9690  1
  O  O78  1  0.8167  0.7133  0.5083  1
  O  O79  1  0.8318  0.2768  0.6985  1
  O  O80  1  0.8323  0.0562  0.6054  1
  O  O81  1  0.8401  0.5133  0.6426  1
  O  O82  1  0.8430  0.0491  0.8229  1
  O  O83  1  0.8971  0.3023  0.2957  1
  O  O84  1  0.9283  0.0210  0.1924  1
  O  O85  1  0.9494  0.9648  0.4157  1
  O  O86  1  0.9832  0.4244  0.0672  1
  O  O87  1  0.9865  0.1880  0.4842  1
  O  O88  1  0.9919  0.6964  0.6722  1
  O  O89  1  0.9942  0.7966  0.2409  1
]