 Sc H O
   1.0
     3.2373005799999999    0.0000000000000000    0.0000000000000000
     0.0000000000000000   12.7094223199999998    0.0000000000000000
     0.0000000000000000    0.0000000000000000    4.0108388899999996
 Sc H O
   4   4   8
Direct
   0.5000000000000000  0.1747200200000000  0.7530435000000000
   0.0000000000000000  0.3252799800000000  0.2530435000000000
   0.0000000000000000  0.6747200200000000  0.7530435000000000
   0.5000000000000000  0.8252799800000000  0.2530435000000000
   0.0000000000000000  0.0130532300000000  0.5571324300000000
   0.5000000000000000  0.4869467700000000  0.0571324300000000
   0.5000000000000000  0.5130532300000000  0.5571324300000000
   0.0000000000000000  0.9869467700000000  0.0571324300000000
   0.0000000000000000  0.2852383400000000  0.7522235700000000
   0.5000000000000000  0.2147616600000000  0.2522235700000000
   0.0000000000000000  0.0664535900000000  0.7482014699999999
   0.5000000000000000  0.4335464100000000  0.2482014700000000
   0.5000000000000000  0.7852383400000000  0.7522235700000000
   0.0000000000000000  0.7147616600000000  0.2522235700000000
   0.5000000000000000  0.5664535900000001  0.7482014699999999
   0.0000000000000000  0.9335464099999999  0.2482014700000000