data_PCOD6100134
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
AlB18O30       PCOD6100134 R =  0.0107
Probable space group: P -3
;
_chemical_formula_sum  "Al B18 O30"
_cell_formula_units_Z    1
_cell_length_a         14.4486
_cell_length_b         14.4486
_cell_length_c          6.6395
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma    120.000
_cell_volume          1200.39
_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
Al1     -0.00191   0.00495   0.51238
B2     -0.17501  -0.21715   0.38545
B3      0.21994   0.05115   0.38274
B4     -0.04248   0.18146   0.36927
B5      0.17566   0.22740  -0.36398
B6     -0.22386  -0.04247  -0.36938
B7      0.04846  -0.16629  -0.37362
B8     -0.17799   0.13228   0.07771
B9     -0.14071  -0.31743   0.09688
B10      0.31656   0.18582   0.08987
B11      0.18396  -0.12457  -0.08483
B12      0.13592   0.32178  -0.07473
B13     -0.31395  -0.17975  -0.08256
B14     -0.05776   0.22571  -0.23414
B15     -0.22090  -0.28697  -0.22809
B16      0.29254   0.07256  -0.22916
B17      0.05908  -0.21405   0.23022
B18      0.22084   0.28675   0.23931
B19     -0.28340  -0.06377   0.23395
O1     -0.09898  -0.11215   0.34968
O2      0.11462   0.02235   0.35045
O3     -0.01894   0.10094   0.34113
O4      0.09652   0.12325   0.67052
O5     -0.11874  -0.01237   0.67171
O6      0.01744  -0.09272   0.67483
O7     -0.19447  -0.28902   0.23260
O8     -0.18536  -0.25432   0.57922
O9      0.29139   0.10654   0.23080
O10      0.25678   0.06845   0.57767
O11     -0.10432   0.19231   0.22377
O12     -0.05280   0.20677   0.56469
O13      0.19322   0.30170  -0.21731
O14      0.19829   0.26107  -0.56062
O15     -0.29704  -0.10272  -0.22328
O16     -0.25650  -0.06121  -0.56708
O17      0.11238  -0.17983  -0.23683
O18      0.05875  -0.18395  -0.57368
O19     -0.14335   0.15486  -0.11884
O20     -0.25334   0.03014   0.13298
O21     -0.16615  -0.31892  -0.10336
O22     -0.03640  -0.28667   0.14319
O23      0.31438   0.15902  -0.10956
O24      0.28876   0.26104   0.14117
O25      0.26280  -0.02212  -0.13072
O26      0.14436  -0.14941   0.10822
O27      0.03391   0.29489  -0.13182
O28      0.15529   0.30887   0.12344
O29     -0.28493  -0.25346  -0.13793
O30     -0.30760  -0.15193   0.11734
#
#_symmetry_space_group_name_H-M  P -3
#_symmetry_Int_Tables_number  147
#
#   Coordination Sequence :
#
# PCOD6100134 AlB18O30        R =  0.0107  147
#   3
#   1  6 12
#    6  12  12  12  14  12  12  14  12   0
#    3   9  14  14  12  12  14  12  12   0
#    3   6  13  15  15  13  12  13  13   0
#
#_framework_density   15.83
#
