data_PCOD7002393
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiB12O20       PCOD7002393 R =  0.0030
Probable space group: P -4 M 2
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_chemical_formula_sum  "Si B12 O20"
_cell_formula_units_Z    1
_cell_length_a         10.7142
_cell_length_b         10.7142
_cell_length_c         13.6857
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1571.02
_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      0.50503   0.49960   0.49857
B2      0.25282   0.49703   0.57346
B3     -0.24991   0.49521   0.58579
B4      0.50284  -0.24601  -0.57024
B5      0.50220   0.24964  -0.57607
B6      0.72223  -0.12325  -0.53930
B7     -0.72142   0.12949  -0.54919
B8     -0.12875  -0.72285   0.54952
B9      0.12489   0.70763   0.52171
B10      0.72561   0.12899  -0.56154
B11     -0.72007  -0.12395  -0.55951
B12     -0.12619   0.71511   0.55471
B13      0.12404  -0.72098   0.55328
O1      0.38019   0.49359   0.56428
O2      0.62357   0.49983   0.57090
O3      0.51003   0.37741   0.43011
O4      0.50439   0.62594   0.43468
O5      0.19210   0.60734   0.55516
O6      0.18571   0.38790   0.57499
O7     -0.18291   0.60386   0.57676
O8     -0.19053   0.38200   0.58105
O9      0.61263  -0.18046  -0.56559
O10      0.39184  -0.18281  -0.57587
O11      0.60928   0.17946  -0.57572
O12      0.38868   0.19180  -0.56502
O13      0.73836   0.00161  -0.55703
O14      0.80503  -0.18712  -0.48140
O15     -0.72802   0.00342  -0.56596
O16     -0.81403   0.18668  -0.49633
O17     -0.00259  -0.73004   0.56611
O18     -0.18366  -0.79855   0.48104
O19      0.00141   0.71868   0.54710
O20      0.18572   0.80977   0.48427
#
#_symmetry_space_group_name_H-M  P -4 M 2
#_symmetry_Int_Tables_number  115
#
#   Starting Wyckoff positions:
#
#    1     1c     0.5000   0.5000   0.5000
#    2     4k     0.2371   0.5000   0.6167
#    3     8l     0.7623  -0.1364  -0.5783
#
#   Coordination Sequence :
#
# PCOD7002393 SiB12O20        R =  0.0030  115
#   3
#   1  4  8
#    4   8   8  12  20  20  20  24  28  36
#    3   7   9  13  16  21  23  23  29  34
#    3   6  10  13  16  19  23  27  29  32
#
#_framework_density    8.27
#
