 Ba Y Cl
   1.0
     5.4605587399999997    0.0000000000000000    0.0103976400000000
     0.0000000000000000   18.9962162799999987    0.0000000000000000
    -0.3605398700000000    0.0000000000000000    6.7159549500000004
 Ba Y Cl
   4   4  20
Direct
   0.0000000000000000  0.6714237199999999  0.7500000000000000
   0.5000000000000000  0.8285762800000001  0.2500000000000000
   0.5000000000000000  0.1714237200000000  0.7500000000000000
   0.0000000000000000  0.3285762800000000  0.2500000000000000
   0.0000000000000000  0.9233470400000000  0.7500000000000000
   0.5000000000000000  0.5766529600000000  0.2500000000000000
   0.5000000000000000  0.4233470400000000  0.7500000000000000
   0.0000000000000000  0.0766529600000000  0.2500000000000000
   0.7439318600000000  0.5313722400000001  0.5950615600000000
   0.2439318600000000  0.9686277599999999  0.0950615600000000
   0.5079975600000000  0.6876458599999999  0.9982214900000000
   0.5000000000000000  0.8725143900000000  0.7500000000000000
   0.4920024400000000  0.6876458599999999  0.5017785100000001
   0.0079975600000000  0.8123541400000001  0.4982214900000000
   0.0000000000000000  0.6274856100000000  0.2500000000000000
   0.9920024400000000  0.8123541400000001  0.0017785100000000
   0.2560681400000000  0.5313722400000001  0.9049384400000000
   0.7560681400000000  0.9686277599999999  0.4049384400000000
   0.2439318600000000  0.0313722400000000  0.5950615600000000
   0.7439318600000000  0.4686277600000000  0.0950615600000000
   0.0079975600000000  0.1876458600000000  0.9982214900000000
   0.0000000000000000  0.3725143900000000  0.7500000000000000
   0.9920024400000000  0.1876458600000000  0.5017785100000001
   0.5079975600000000  0.3123541400000000  0.4982214900000000
   0.5000000000000000  0.1274856100000000  0.2500000000000000
   0.4920024400000000  0.3123541400000000  0.0017785100000000
   0.7560681400000000  0.0313722400000000  0.9049384400000000
   0.2560681400000000  0.4686277600000000  0.4049384400000000