 H O Al
   1.0
     2.8406145199999999    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.1843017299999996    0.0000000000000000
     0.0000000000000000    0.0000000000000000    4.7026083300000003
 H O Al
   2   4   2
Direct
   0.5000000000000000  0.7187690900000000  0.9819017000000000
   0.0000000000000000  0.2812309100000000  0.4819017000000000
   0.0000000000000000  0.0073824300000000  0.6442699100000000
   0.5000000000000000  0.9926175699999999  0.1442699100000000
   0.0000000000000000  0.4934509900000000  0.3470998500000000
   0.5000000000000000  0.5065490100000001  0.8470998500000000
   0.5000000000000000  0.7650814600000000  0.4921385400000000
   0.0000000000000000  0.2349185400000000  0.9921385400000000