 S Sc Cu
   1.0
     3.6995382200000000    0.0000000000000000    0.0000000000000000
    -1.8497691000000001    3.2038940700000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000    5.9032468600000003
 S Sc Cu
   2   1   1
Direct
   0.6666666700000000  0.3333333300000000  0.7348062399999999
   0.3333333300000000  0.6666666700000000  0.2235261700000000
   0.0000000000000000  0.0000000000000000  0.9953991599999999
   0.3333333300000000  0.6666666700000000  0.6034684400000000
