data_PCOD7001882
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiB4O8         PCOD7001882 R =  0.0096
Probable space group: P 43 2 2
;
_chemical_formula_sum  "Si B4 O8"
_cell_formula_units_Z    4
_cell_length_a         13.5714
_cell_length_b         13.5714
_cell_length_c          8.0128
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1475.82
_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      0.49258   0.72690   0.00305
Si2      0.49741   0.27960   0.49871
Si3      0.28182   0.50074   0.75115
Si4      0.71943   0.50295   0.23530
B5      0.65229   0.77569   0.19956
B6     -0.66092  -0.77352   0.70702
B7     -0.77419   0.65888  -0.04129
B8      0.76897  -0.65209   0.44921
B9     -0.66116   0.77639  -0.20958
B10      0.64806  -0.77361   0.28964
B11      0.76787   0.65396   0.02567
B12     -0.77448  -0.65023  -0.45874
B13      0.63577  -0.65153   0.03795
B14     -0.63279   0.64988   0.54722
B15      0.64044   0.64150  -0.21381
B16     -0.65148  -0.63584   0.29240
B17     -0.63993  -0.65767  -0.04426
B18      0.64551   0.65726   0.44617
B19     -0.65462   0.63945   0.21063
B20      0.65433  -0.63778  -0.29681
O1      0.56664   0.79413   0.11146
O2      0.55681   0.65996  -0.12272
O3      0.41833   0.79357  -0.10592
O4      0.43207   0.65597   0.12703
O5      0.56458   0.20921   0.38330
O6      0.42208   0.21503   0.60924
O7      0.43502   0.35240   0.37954
O8      0.56808   0.34289   0.61951
O9      0.35561   0.56376   0.63526
O10      0.21751   0.57333   0.86700
O11      0.21175   0.43442   0.63369
O12      0.34555   0.42839   0.86886
O13      0.78858   0.57104   0.11947
O14      0.65376   0.57243   0.35469
O15      0.78410   0.42943   0.34927
O16      0.64868   0.43688   0.11871
O17      0.72836   0.73259   0.11178
O18      0.64214   0.74608   0.36326
O19     -0.74093  -0.73137   0.62826
O20     -0.64523  -0.74512   0.87020
O21     -0.74387   0.74080  -0.12916
O22     -0.74050   0.64944   0.12063
O23      0.72699  -0.73320   0.37393
O24      0.74012  -0.63567   0.61215
O25     -0.63999   0.73627  -0.36349
O26      0.63324  -0.73662   0.13098
O27      0.72927   0.63825  -0.13149
O28     -0.73794  -0.63928  -0.61809
O29      0.65824  -0.65704  -0.12877
O30     -0.65645   0.65066   0.38076
O31      0.63882   0.65452  -0.38341
O32     -0.65359  -0.65782   0.12529
#
#_symmetry_space_group_name_H-M  P 43 2 2
#_symmetry_Int_Tables_number   95
#
#   Starting Wyckoff positions:
#
#    1     4b     0.5000   0.7357   0.0000
#    2     8d     0.6659   0.7580   0.2253
#    3     8d     0.6278  -0.6673   0.0145
#
#   Coordination Sequence :
#
# PCOD7001882 SiB4O8          R =  0.0096   95
#   3
#   4  8  8
#    4   6   8  14  16  14  12  10  10   0
#    3   5   8  12  16  15  13  12  10   0
#    3   6  10  12  15  16  12  10  10   0
#
#_framework_density   13.55
#
