#_framework_density   13.23
#
data_PCOD7000815
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
Si3B8O18       PCOD7000815 R =  0.0070
Probable space group: P -6 M 2
;
_chemical_formula_sum  "Si3 B8 O18"
_cell_formula_units_Z    1
_cell_length_a         10.8660
_cell_length_b         10.8660
_cell_length_c         11.0670
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma    120.000
_cell_volume          1131.62
_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
B1      0.00260   0.00353   0.35969
B2      0.00486  -0.00291   0.64749
Si3      0.12420  -0.12306   0.50375
Si4      0.12210   0.24408   0.50007
Si5     -0.23995  -0.12340   0.50802
B6      0.41603   0.08016   0.50360
B7     -0.08366   0.33126   0.51280
B8     -0.33416  -0.41817   0.50802
B9     -0.08207  -0.41689   0.50010
B10     -0.33452   0.07756   0.51178
B11      0.41433   0.33114   0.49989
O1      0.07666  -0.06479   0.38912
O2      0.07241   0.14830   0.37909
O3     -0.13976  -0.06926   0.38980
O4      0.07619  -0.07581   0.62509
O5      0.07394   0.13850   0.61496
O6     -0.13938  -0.07771   0.62595
O7      0.29451  -0.05067   0.50409
O8      0.04701  -0.29358   0.49781
O9      0.04594   0.33832   0.50666
O10      0.29265   0.34015   0.49986
O11     -0.33793  -0.29375   0.50402
O12     -0.33753  -0.05030   0.51230
O13      0.40747   0.20163   0.49709
O14      0.54412   0.08452   0.49466
O15     -0.20612   0.20147   0.51670
O16     -0.08976   0.45332   0.49769
O17     -0.20485  -0.41148   0.51244
O18     -0.45703  -0.54691   0.51359
#
#_symmetry_space_group_name_H-M  P -6 M 2
#_symmetry_Int_Tables_number  187
#
#   Starting Wyckoff positions:
#
#    1     2g     0.0000   0.0000   0.3449
#    2     3k     0.1429  -0.1429   0.5000
#    3     6m     0.4196   0.0916   0.5000
#
#   Coordination Sequence :
#
# PCOD7000815 Si3B8O18        R =  0.0070  187
#   3
#   2  3  6
#    3   7   6  12  24  18  18  21  36   0
#    4   6   8  14  18  20  20  26  32   0
#    3   7  10  13  16  20  24  26  29   0
#
#_framework_density    9.72
#
