data_PCOD3103321
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3103321 R =  0.0175
Probable space group: P 21 21 2
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   12
_cell_length_a          6.6116
_cell_length_b          8.3647
_cell_length_c         30.4226
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1682.50
_symmetry_space_group_name_H-M   "P 1"
_symmetry_Int_Tables_number  1
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si1      0.14502   0.19922   0.02642
Si2      0.85264   0.79864   0.02397
Si3      0.34009   0.70325   0.97337
Si4      0.64144   0.28884   0.97685
Si5     -0.00908   0.49955   0.06668
Si6      0.49378  -0.00117  -0.06795
Si7     -0.01533   0.49873  -0.06766
Si8      0.50408   0.00106   0.06926
Si9     -0.27441  -0.26500  -0.06954
Si10      0.25595   0.25623  -0.06565
Si11      0.76639   0.23059   0.07047
Si12      0.23742   0.75748   0.06616
O1      0.13469   0.38864   0.03646
O2      0.34975   0.11313   0.04226
O3      0.12607   0.17792  -0.02624
O4     -0.05008   0.12486   0.05087
O5      0.84133   0.61340   0.03865
O6      1.06050   0.86623   0.04458
O7      0.66155   0.90439   0.03890
O8      0.85975   0.80103  -0.02912
O9      0.13647   0.61121   0.95988
O10      0.36728   0.68582   1.02593
O11      0.34369   0.89118   0.96163
O12      0.53898   0.63096   0.94979
O13      0.64727   0.10414   0.96143
O14      0.43605   0.36075   0.95607
O15      0.63061   0.29251   1.02980
O16      0.83187   0.39506   0.96200
O17      0.13719   0.61567   0.09470
O18     -0.14329   0.38143   0.09683
O19      0.35567   0.11967  -0.09628
O20      0.63063  -0.11941  -0.09740
O21      0.11794   0.37243  -0.09530
O22     -0.14143   0.61610  -0.09962
O23      0.63101   0.11703   0.10152
O24      0.37633  -0.12915   0.09663
#
#_symmetry_space_group_name_H-M  P 21 21 2
#_symmetry_Int_Tables_number   18
#
#   Coordination Sequence :
#
# PCOD3103321 SiO2            R =  0.0175   18
#   3
#   8  2  2
#    4  10  17  28  32  42  45  57  61   0
#    4   8  21  26  30  40  52  50  66   0
#    4  12  19  24  38  38  50  50  64   0
#
#_framework_density    7.13
#