 Ca Al H
   1.0
     4.1937928500000003    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.8490797700000003    0.0000000000000000
     0.0000000000000000    0.0000000000000000   11.9309302499999994
 Ca Al H
   4   4  20
Direct
   0.2032230200000000  0.1360408600000000  0.8386114600000000
   0.7032230200000000  0.3639591400000000  0.1613885400000000
   0.7967769800000000  0.6360408600000000  0.6613885400000000
   0.2967769800000000  0.8639591400000000  0.3386114600000000
   0.6889221900000000  0.3798000500000000  0.4152985600000000
   0.8110778100000000  0.6201999499999999  0.9152985600000000
   0.3110778100000000  0.8798000500000001  0.0847014400000000
   0.1889221900000000  0.1201999500000000  0.5847014400000000
   0.4883959900000000  0.1257775400000000  0.0057722800000000
   0.8301318500000000  0.6223186700000001  0.3232696000000000
   0.4913087700000000  0.6097206900000001  0.0071396000000000
   0.1786674000000000  0.6147789100000001  0.1679009700000000
   0.8594670100000000  0.1273145500000000  0.6739287800000000
   0.3213326000000000  0.3852210900000000  0.6679009700000000
   0.9913087700000000  0.8902793100000000  0.9928604000000000
   0.8213326000000000  0.1147789100000000  0.3320990300000000
   0.3301318500000000  0.8776813300000000  0.6767304000000001
   0.0116040100000000  0.8742224600000000  0.5057722800000000
   0.5086912299999999  0.1097206900000000  0.4928604000000000
   0.5116040100000000  0.6257775400000001  0.4942277200000000
   0.1405329900000000  0.6273145500000000  0.8260712200000000
   0.3594670100000000  0.3726854500000000  0.3260712200000000
   0.6405329900000001  0.8726854500000000  0.1739287800000000
   0.6698681500000000  0.3776813300000000  0.8232695999999999
   0.9883959900000000  0.3742224600000000  0.9942277200000000
   0.1698681500000000  0.1223186700000000  0.1767304000000000
   0.0086912300000000  0.3902793100000000  0.5071396000000000
   0.6786673999999999  0.8852210900000000  0.8320990300000000