data_PCOD7000110
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiB12O20       PCOD7000110 R =  0.0085
Probable space group: P -4 2 M
;
_chemical_formula_sum  "Si B12 O20"
_cell_formula_units_Z    1
_cell_length_a          9.9989
_cell_length_b          9.9989
_cell_length_c         15.3057
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1530.22
_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      0.00568   0.00297   0.50456
B2     -0.17911  -0.18199   0.58999
B3      0.19069   0.19194   0.58647
B4     -0.18259   0.18455  -0.58431
B5      0.18767  -0.18349  -0.58390
B6     -0.44615   0.12502  -0.57465
B7      0.44865  -0.11388  -0.57196
B8      0.12693   0.45273   0.58018
B9     -0.10991  -0.44395   0.58243
B10      0.45305   0.12761   0.58074
B11     -0.44070  -0.10895   0.58113
B12     -0.11419   0.44697  -0.57367
B13      0.12015  -0.44601  -0.57684
O1     -0.08139  -0.09240   0.56701
O2      0.09635   0.09880   0.56443
O3     -0.09222   0.09171   0.44467
O4      0.09888  -0.08703   0.44233
O5     -0.14798  -0.31468   0.60027
O6     -0.30917  -0.13997   0.59727
O7      0.15455   0.32232   0.60194
O8      0.32101   0.15360   0.59848
O9     -0.31447   0.14951  -0.59440
O10     -0.14518   0.31606  -0.59257
O11      0.32042  -0.15173  -0.59292
O12      0.14700  -0.31366  -0.59344
O13     -0.50230   0.00621  -0.60220
O14     -0.49549   0.17474  -0.49701
O15      0.50158  -0.15840  -0.49415
O16      0.01184   0.51042   0.61260
O17      0.16832   0.49917   0.49978
O18     -0.15419  -0.50182   0.50586
O19      0.50790   0.01022   0.61138
O20      0.00207   0.50028  -0.60752
#
#_symmetry_space_group_name_H-M  P -4 2 M
#_symmetry_Int_Tables_number  111
#
#   Starting Wyckoff positions:
#
#    1     1c     0.0000   0.0000   0.5000
#    2     4n    -0.2094  -0.2094   0.5573
#    3     8o    -0.4394   0.1129  -0.5816
#
#   Coordination Sequence :
#
# PCOD7000110 SiB12O20        R =  0.0085  111
#   3
#   1  4  8
#    4   8   8   8  12  24  28  20  28   0
#    3   7  10  10  16  21  23  28  29   0
#    3   5   8  13  15  17  23  28  30   0
#
#_framework_density    8.50
#
