 P Ca Ir
   1.0
     6.5913174300000001    0.0000000000000000    0.0000000000000000
    -3.2956587200000000    5.7082483399999999   -0.0000000000000000
    -0.0000000000000000    0.0000000000000000    7.0257671000000004
 P Ca Ir
   6   3   6
Direct
   0.7738312300000000  0.6604154300000000  0.2092478000000000
   0.1134158000000000  0.3395845700000000  0.1240855400000000
   0.6604154300000000  0.7738312300000000  0.7907522000000000
   0.3395845700000000  0.1134158000000000  0.8759144600000000
   0.8865842000000000  0.2261687700000000  0.5425811300000001
   0.2261687700000000  0.8865842000000000  0.4574188700000000
   0.6046695000000000  0.0000000000000000  0.1666666700000000
   0.0000000000000000  0.6046695000000000  0.8333333300000000
   0.3953305000000000  0.3953305000000000  0.5000000000000000
   0.1361786700000000  0.0000000000000000  0.1666666700000000
   0.0000000000000000  0.1361786700000000  0.8333333300000000
   0.5178323100000000  0.0000000000000000  0.6666666700000000
   0.4821676900000000  0.4821676900000000  0.0000000000000000
   0.0000000000000000  0.5178323100000000  0.3333333300000000
   0.8638213299999999  0.8638213299999999  0.5000000000000000