data_PCOD7000119
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
Si5B12O28      PCOD7000119 R =  0.0098
Probable space group: P -4 2 M
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_chemical_formula_sum  "Si5 B12 O28"
_cell_formula_units_Z    1
_cell_length_a         11.1424
_cell_length_b         11.1424
_cell_length_c         15.2487
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1893.18
_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      0.75336  -0.02495   0.45386
B2      0.23692   0.03045   0.44985
B3     -0.03225   0.24027   0.54701
B4      0.02556   0.76037   0.53555
Si5     -0.00360   0.00210   0.49504
B6      0.17447   0.33640   0.60550
B7     -0.17427  -0.33587   0.60451
B8      0.33807  -0.17453  -0.60954
B9     -0.34019   0.17874  -0.61050
B10     -0.17724   0.33205  -0.58279
B11      0.17437  -0.32932  -0.59190
B12     -0.33192  -0.17088   0.58564
B13      0.32992   0.17378   0.57991
Si14      0.31446   0.50240   0.50241
Si15     -0.31775   0.50282   0.50466
Si16      0.49493  -0.31174   0.50412
Si17      0.50081   0.31884   0.49728
O1      0.87509  -0.01779   0.43930
O2      0.70769  -0.09631   0.51936
O3      0.68173   0.06531   0.42157
O4      0.11471   0.02582   0.43671
O5      0.28447   0.10157   0.51476
O6      0.30700  -0.06033   0.41658
O7     -0.02334   0.11801   0.55671
O8      0.05957   0.31105   0.57789
O9     -0.10515   0.28710   0.48283
O10      0.01905   0.88176   0.55143
O11     -0.06284   0.68768   0.56954
O12      0.09314   0.71811   0.46667
O13      0.24678   0.24008   0.62621
O14      0.23040   0.43778   0.57411
O15     -0.24478  -0.23878   0.62625
O16     -0.23262  -0.43853   0.57850
O17      0.24516  -0.24802  -0.63646
O18      0.43504  -0.22990  -0.57111
O19     -0.24129   0.24825  -0.63043
O20     -0.43795   0.24076  -0.57943
O21     -0.23333   0.44036  -0.56815
O22      0.22952  -0.43553  -0.56981
O23     -0.44227  -0.22515   0.57537
O24      0.43906   0.22817   0.56613
O25      0.40037   0.40570   0.45595
O26      0.39455   0.60491   0.54927
O27     -0.40069   0.39959   0.54726
O28     -0.40263   0.60356   0.46146
#
#_symmetry_space_group_name_H-M  P -4 2 M
#_symmetry_Int_Tables_number  111
#
#   Starting Wyckoff positions:
#
#    1     4k     0.7666   0.0000   0.5000
#    2     1c     0.0000   0.0000   0.5000
#    3     8o     0.1546   0.3212   0.6138
#    4     4j     0.3006   0.5000   0.5000
#
#   Coordination Sequence :
#
# PCOD7000119 Si5B12O28       R =  0.0098  111
#   4
#   4  1  8  4
#    3   7  10  13  19  22  25  27  30   0
#    4   8   8  16  20  20  24  32  24   0
#    3   6  10  13  17  23  24  27  34   0
#    4   7  10  15  18  18  24  31  32   0
#
#_framework_density    8.98
#
