 Ba W N Cl
   1.0
     8.4509845400000003    0.0000000000000000   -0.0086389000000000
     0.0000000000000000    6.1399504699999996    0.0000000000000000
    -1.6626504000000000    0.0000000000000000   10.6254841599999992
 Ba W N Cl
   8   2   8   4
Direct
   0.7131892200000001  0.2500000000000000  0.2927909600000000
   0.9972076500000000  0.2500000000000000  0.6279273200000000
   0.5546466100000000  0.2500000000000000  0.6230839699999999
   0.1845307000000000  0.2500000000000000  0.0889332600000000
   0.0027923500000000  0.7500000000000000  0.3720726800000000
   0.4453533900000000  0.7500000000000000  0.3769160300000000
   0.8154693000000000  0.7500000000000000  0.9110667400000000
   0.2868107800000000  0.7500000000000000  0.7072090400000000
   0.2288965300000000  0.2500000000000000  0.3992248700000000
   0.7711034700000000  0.7500000000000000  0.6007751299999999
   0.9647852200000000  0.7500000000000000  0.7109890100000000
   0.7539196900000000  0.9986781700000000  0.4977913600000000
   0.2460803100000000  0.4986781700000000  0.5022086400000000
   0.2460803100000000  0.0013218300000000  0.5022086400000000
   0.3899983100000000  0.2500000000000000  0.2976070300000000
   0.0352147800000000  0.2500000000000000  0.2890109900000000
   0.7539196900000000  0.5013218300000000  0.4977913600000000
   0.6100016900000000  0.7500000000000000  0.7023929700000000
   0.6759814000000000  0.7500000000000000  0.1674986200000000
   0.3240186000000000  0.2500000000000000  0.8325013800000001
   0.1566494900000000  0.7500000000000000  0.1037851900000000
   0.8433505100000001  0.2500000000000000  0.8962148100000000