data_PCOD6101703
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
AlB8O15        PCOD6101703 R =  0.0106
Probable space group: P 2 2 21
;
_chemical_formula_sum  "Al B8 O15"
_cell_formula_units_Z    2
_cell_length_a         14.2455
_cell_length_b         14.8151
_cell_length_c          8.7212
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1840.59
_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      0.54614   0.35958   0.24856
B2      0.45806   0.64312   0.75733
Al3      0.53120   0.50378  -0.01537
Al4     -0.52291   0.50108   0.48627
B5      0.52317   0.18584   0.26191
B6      0.47810  -0.18617  -0.24766
B7     -0.37200   0.59934   0.26262
B8      0.38109  -0.59214   0.75239
B9      0.37889   0.59065   0.21354
B10     -0.36685  -0.58098  -0.27681
B11      0.37106  -0.77057   0.77125
B12     -0.36415   0.77770   1.26336
B13     -0.39411  -0.75879  -0.25829
B14      0.40299   0.77228  -0.77962
B15      0.53533  -0.17243   0.03052
B16     -0.52263   0.17787   0.54905
B17     -0.49644  -0.16810   0.44982
B18      0.50372   0.17699  -0.03755
O1      0.54318   0.39733   0.10473
O2      0.56638   0.26929   0.26577
O3      0.48898   0.39878   0.35656
O4      0.46390   0.60362   0.61524
O5      0.52043   0.61059   0.86425
O6      0.43172   0.73235   0.76387
O7      0.42780   0.54359   0.10380
O8      0.61588   0.56532   0.11718
O9      0.63356   0.46511  -0.13909
O10      0.44681   0.44294  -0.14848
O11     -0.42878   0.56289   0.37357
O12     -0.61732   0.55001   0.35634
O13     -0.42774   0.45336   0.61565
O14     -0.61548   0.43998   0.60421
O15      0.50546   0.15508   0.11604
O16      0.47632   0.16115   0.39371
O17      0.53712  -0.16632  -0.12676
O18      0.49788  -0.15753  -0.39403
O19     -0.34294   0.68745   0.27806
O20      0.35167  -0.67944   0.77611
O21      0.37664   0.68328   0.20783
O22     -0.35739  -0.67332  -0.26974
O23      0.39609  -0.80500   0.62977
O24      0.41791  -0.80671   0.89527
O25     -0.40950   0.81837   1.38462
O26     -0.38675   0.80775   1.11776
O27     -0.41920  -0.79080  -0.11556
O28     -0.44031  -0.79360  -0.38386
O29      0.44988   0.81016  -0.90195
O30      0.42823   0.80279  -0.63590
#
#_symmetry_space_group_name_H-M  P 2 2 21
#_symmetry_Int_Tables_number   17
#
#   Coordination Sequence :
#
# PCOD6101703 AlB8O15         R =  0.0106   17
#   5
#   6  2  2  4  4
#    3  10  10  12   8  10   8  10   8   0
#    6   8  12   8  10   8  10   8  10   0
#    3   6  10   8  12  10  10   6  10   0
#    3   5  10  11  12   6  10  10  10   0
#    3   5   6  11  11  13   8  10   8   0
#
#_framework_density    9.78
#
