 Ba Sc Cl
   1.0
     6.9056818599999996    0.0000000000000000   -0.2128908800000000
     0.0000000000000000   13.2432455900000008    0.0000000000000000
    -1.5129457700000000    0.0000000000000000   12.2337921999999999
 Ba Sc Cl
   8   4  28
Direct
   0.2477411700000000  0.0801737400000000  0.8797631700000000
   0.7447796600000001  0.3416687300000000  0.0033837100000000
   0.2477411700000000  0.4198262600000000  0.3797631700000000
   0.7447796600000001  0.1583312700000000  0.5033837100000000
   0.7522588299999999  0.5801737400000000  0.6202368300000001
   0.7522588299999999  0.9198262600000000  0.1202368300000000
   0.2552203400000000  0.6583312700000000  0.9966162900000000
   0.2552203400000000  0.8416687300000000  0.4966162900000000
   0.8049556099999999  0.6289092300000000  0.2018924900000000
   0.8049556099999999  0.8710907700000000  0.7018924900000000
   0.1950443900000000  0.1289092300000000  0.2981075100000000
   0.1950443900000000  0.3710907700000000  0.7981075100000000
   0.9494217000000000  0.2351159000000000  0.7472536900000000
   0.0505783000000000  0.7351159000000000  0.7527463100000000
   0.2080797900000000  0.1974477100000000  0.4882298500000000
   0.4494476400000000  0.9985098400000000  0.3565916600000000
   0.9467968500000000  0.4917410600000000  0.8529223800000000
   0.7919202100000000  0.8025522899999999  0.5117701500000000
   0.4494476400000000  0.5014901600000000  0.8565916600000000
   0.4650753100000000  0.2577685500000000  0.7787118700000000
   0.9494217000000000  0.2648841000000000  0.2472536900000000
   0.4650753100000000  0.2422314500000000  0.2787118700000000
   0.6233743300000000  0.3734438200000000  0.5324138100000000
   0.5505523600000000  0.4985098400000000  0.1434083400000000
   0.1315241500000000  0.0559475200000000  0.1154917700000000
   0.0532031500000000  0.9917410600000000  0.6470776200000000
   0.5505523600000000  0.0014901600000000  0.6434083400000000
   0.1315241500000000  0.4440524800000000  0.6154917700000000
   0.8684758500000000  0.5559475199999999  0.3845082300000000
   0.6233743300000000  0.1265561800000000  0.0324138100000000
   0.0532031500000000  0.5082589399999999  0.1470776200000000
   0.7919202100000000  0.6974477100000001  0.0117701500000000
   0.5349246900000000  0.7422314500000000  0.2212881300000000
   0.3766256700000000  0.6265561800000000  0.4675861900000000
   0.2080797900000000  0.3025522900000000  0.9882298500000000
   0.8684758500000000  0.9440524800000000  0.8845082300000000
   0.5349246900000000  0.7577685500000000  0.7212881300000000
   0.9467968500000000  0.0082589400000000  0.3529223800000000
   0.3766256700000000  0.8734438200000000  0.9675861900000000
   0.0505783000000000  0.7648841000000000  0.2527463100000000