 C O Ca
   1.0
     5.6472347799999998    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.9482077000000002    0.0000000000000000
     0.0000000000000000    0.0000000000000000    7.9293584900000003
 C O Ca
   4  12   4
Direct
   0.4135660900000000  0.2500000000000000  0.7377269300000000
   0.5864339100000000  0.7500000000000000  0.2622730700000000
   0.9135660900000000  0.2500000000000000  0.7622730700000000
   0.0864339100000000  0.7500000000000000  0.2377269300000000
   0.9112993500000000  0.4760164600000000  0.6797066800000000
   0.0887006500000000  0.9760164600000000  0.3202933200000000
   0.4112993500000000  0.0239835400000000  0.8202933200000000
   0.5887006500000000  0.5239835400000000  0.1797066800000000
   0.0970025800000000  0.7500000000000000  0.0755619200000000
   0.9029974199999999  0.2500000000000000  0.9244380800000001
   0.5970025800000001  0.7500000000000000  0.4244380800000000
   0.4029974200000000  0.2500000000000000  0.5755619199999999
   0.0887006500000000  0.5239835400000000  0.3202933200000000
   0.9112993500000000  0.0239835400000000  0.6797066800000000
   0.5887006500000000  0.9760164600000000  0.1797066800000000
   0.4112993500000000  0.4760164600000000  0.8202933200000000
   0.2597298800000000  0.2500000000000000  0.0849662800000000
   0.7402701199999999  0.7500000000000000  0.9150337200000001
   0.7597298800000000  0.2500000000000000  0.4150337200000000
   0.2402701200000000  0.7500000000000000  0.5849662799999999