 Ca B Cl O
   1.0
     3.9027808700000000    0.0000000000000000   -0.0137608700000000
     0.0000000000000000    8.6559821800000005    0.0000000000000000
    -2.2387205799999998    0.0000000000000000   12.1130499100000009
 Ca B Cl O
   8   4   4  12
Direct
   0.3313675800000000  0.3791320400000000  0.8831440100000000
   0.6686324200000000  0.6208679600000000  0.1168559900000000
   0.2963079800000000  0.8828367300000000  0.8617392600000000
   0.3313675800000000  0.1208679600000000  0.3831440100000000
   0.7036920200000000  0.3828367300000000  0.6382607400000000
   0.2963079800000000  0.6171632700000000  0.3617392600000000
   0.7036920200000000  0.1171632700000000  0.1382607400000000
   0.6686324200000000  0.8791320400000000  0.6168559900000000
   0.2905366300000000  0.3663234800000000  0.1558296300000000
   0.2905366300000000  0.1336765200000000  0.6558296299999999
   0.7094633699999999  0.6336765200000001  0.8441703700000001
   0.7094633699999999  0.8663234800000000  0.3441703700000000
   0.8042056900000000  0.1262696000000000  0.9125005400000000
   0.1957943100000000  0.8737304000000000  0.0874994600000000
   0.1957943100000000  0.6262696000000000  0.5874994600000000
   0.8042056900000000  0.3737304000000000  0.4125005400000000
   0.1982911200000000  0.5111384299999999  0.1885134600000000
   0.8017088800000001  0.0111384300000000  0.3114865400000000
   0.2236695900000000  0.2286708300000000  0.2050262600000000
   0.4864006700000000  0.3596012600000000  0.0722806200000000
   0.1982911200000000  0.9888615700000000  0.6885134600000000
   0.2236695900000000  0.2713291700000000  0.7050262600000000
   0.8017088800000001  0.4888615700000000  0.8114865400000000
   0.7763304100000000  0.7286708300000000  0.2949737400000000
   0.5135993300000000  0.6403987400000000  0.9277193800000000
   0.5135993300000000  0.8596012600000000  0.4277193800000000
   0.4864006700000000  0.1403987400000000  0.5722806200000000
   0.7763304100000000  0.7713291700000000  0.7949737400000000