 Ba Y B Cl O
   1.0
     6.4001643300000000    0.0000000000000000   -0.0381591600000000
     0.0000000000000000    5.2911448099999996    0.0000000000000000
    -1.2063402800000000    0.0000000000000000   11.2154993800000007
 Ba Y B Cl O
   4   2   4   2  12
Direct
   0.9075475700000000  0.2500000000000000  0.2940580600000000
   0.0924524300000000  0.7500000000000000  0.7059419400000000
   0.6586338600000000  0.2500000000000000  0.9255592600000000
   0.3413661400000000  0.7500000000000000  0.0744407400000000
   0.6524011000000001  0.2500000000000000  0.5869645000000000
   0.3475989000000000  0.7500000000000000  0.4130355000000000
   0.6231650399999999  0.7500000000000000  0.7744236300000000
   0.3768349600000000  0.2500000000000000  0.2255763700000000
   0.2102726500000000  0.2500000000000000  0.5731384700000000
   0.7897273499999999  0.7500000000000000  0.4268615300000000
   0.1500650300000000  0.2500000000000000  0.9155154100000000
   0.8499349700000001  0.7500000000000000  0.0844845900000000
   0.7089875600000000  0.5264079200000000  0.7374105200000001
   0.2910124400000000  0.0264079200000000  0.2625894800000000
   0.2910124400000000  0.4735920800000000  0.2625894800000000
   0.7089875600000000  0.9735920800000000  0.7374105200000001
   0.3253560500000000  0.4711893400000000  0.5651941899999999
   0.6746439500000000  0.9711893400000000  0.4348058100000000
   0.6746439500000000  0.5288106600000000  0.4348058100000000
   0.3253560500000000  0.0288106600000000  0.5651941899999999
   0.0062698200000000  0.2500000000000000  0.5955930800000000
   0.9937301800000000  0.7500000000000000  0.4044069200000000
   0.4738297400000000  0.7500000000000000  0.8536756599999999
   0.5261702600000000  0.2500000000000000  0.1463243400000000