 Fe As S
   1.0
     5.6491790399999999    0.0000000000000000   -0.0106712800000000
     0.0000000000000000    5.5805860699999998    0.0000000000000000
    -2.1320744399999998    0.0000000000000000    5.2560083899999999
 Fe As S
   4   4   4
Direct
   0.2118538100000000  0.5091519099999999  0.7026183900000000
   0.7881461900000000  0.4908480900000000  0.2973816100000000
   0.7881461900000000  0.0091519100000000  0.7973816100000000
   0.2118538100000000  0.9908480900000000  0.2026183900000000
   0.6463705600000000  0.6327983800000000  0.8721566900000000
   0.3536294400000000  0.1327983800000000  0.6278433100000000
   0.6463705600000000  0.8672016200000000  0.3721566900000000
   0.3536294400000000  0.3672016200000000  0.1278433100000000
   0.8481091300000000  0.1335838000000000  0.1775531100000000
   0.1518908700000000  0.6335838000000000  0.3224468900000000
   0.8481091300000000  0.3664162000000000  0.6775531100000001
   0.1518908700000000  0.8664162000000000  0.8224468900000000