 F Al Ca Ba
   1.0
     5.3366814600000003    0.0000000000000000   -0.0070178100000000
     0.0000000000000000    5.3591664300000001    0.0000000000000000
    -4.5737150399999997    0.0000000000000000   18.7499036299999986
 F Al Ca Ba
  28   4   4   4
Direct
   0.3408720200000000  0.9532240600000000  0.0652596600000000
   0.6591279800000001  0.9532240600000000  0.4347403400000000
   0.6591279800000001  0.0467759400000000  0.9347403400000001
   0.3408720200000000  0.0467759400000000  0.5652596599999999
   0.8432342100000000  0.9699079500000000  0.8244133100000000
   0.1567657900000000  0.9699079500000000  0.6755866900000000
   0.1567657900000000  0.0300920500000000  0.1755866900000000
   0.8432342100000000  0.0300920500000000  0.3244133100000000
   0.9974568700000001  0.7175631000000000  0.9401439000000000
   0.0025431300000000  0.7175631000000000  0.5598561000000000
   0.0025431300000000  0.2824369000000000  0.0598561000000000
   0.9974568700000001  0.2824369000000000  0.4401439000000000
   0.5351287100000000  0.4091956500000000  0.4362819500000000
   0.4648712900000000  0.4091956500000000  0.0637180500000000
   0.4648712900000000  0.5908043500000000  0.5637180500000001
   0.5351287100000000  0.5908043500000000  0.9362819500000000
   0.3826015400000000  0.1390554800000000  0.3182493500000000
   0.6173984600000000  0.1390554800000000  0.1817506500000000
   0.6173984600000000  0.8609445200000000  0.6817506500000000
   0.3826015400000000  0.8609445200000000  0.8182493500000000
   0.2594394100000000  0.5130863600000000  0.6740049299999999
   0.7405605900000001  0.5130863600000000  0.8259950700000001
   0.7405605900000001  0.4869136400000000  0.3259950700000000
   0.2594394100000000  0.4869136400000000  0.1740049300000000
   0.2259406600000000  0.6378876099999999  0.3076496700000000
   0.7740593400000000  0.6378876099999999  0.1923503300000000
   0.7740593400000000  0.3621123900000000  0.6923503300000000
   0.2259406600000000  0.3621123900000000  0.8076496700000000
   0.6814026600000000  0.7733832300000000  0.8805018500000000
   0.3185973400000000  0.7733832300000000  0.6194981500000001
   0.6814026600000000  0.2266167700000000  0.3805018500000000
   0.3185973400000000  0.2266167700000000  0.1194981500000000
   0.0000000000000000  0.6764729000000000  0.7500000000000000
   0.5000000000000000  0.2049366000000000  0.7500000000000000
   0.0000000000000000  0.3235271000000000  0.2500000000000000
   0.5000000000000000  0.7950634000000000  0.2500000000000000
   0.8181166400000000  0.2392702500000000  0.5673577000000001
   0.1818833600000000  0.2392702500000000  0.9326423000000000
   0.1818833600000000  0.7607297500000000  0.4326423000000000
   0.8181166400000000  0.7607297500000000  0.0673577000000000