Fe8 S16
1.0
   0.0000000000000000    5.4165999999999999    5.4165999999999999
   5.4165999999999999    0.0000000000000000    5.4165999999999999
   5.4165999999999999    5.4165999999999999    0.0000000000000000
Fe S
8 16
direct
   0.4974910323810900    0.9922472747940239    0.0027807169748205 Fe
   0.9969734793122915    0.5016501740082624    0.5055010732267409 Fe
   0.0008439391436372    0.4979147833144663    0.9997782002220978 Fe
   0.5039249055058795    0.9991669715583132    0.4990025496607101 Fe
   0.0002663904083124    0.0008660164174940    0.9981995332632713 Fe
   0.5019804562843834    0.5012972660024544    0.4947226990372923 Fe
   0.9951133706248236    0.0024843740016390    0.4962136673297557 Fe
   0.4970063983023960    0.5024110076027113    0.0006464348203337 Fe
   0.1935802957449496    0.9179108546033583    0.7002647007847072 S
   0.6856246769871231    0.4307856087668377    0.1913021988750191 S
   0.7015705267824793    0.1880893474992179    0.9200539026733051 S
   0.1885726897229013    0.7002599056131459    0.4206620967517157 S
   0.3090532901322046    0.3091933475214259    0.3025528058912266 S
   0.8038790567861477    0.8080839849932666    0.8113924688050419 S
   0.2002112850718649    0.1881194689904735    0.1915274458349462 S
   0.6940740895993218    0.6864483962171725    0.7017585624954352 S
   0.9287995876915164    0.6956052084426816    0.2027911487596287 S
   0.4213051087360291    0.1996440464475360    0.6891576318038606 S
   0.8078415791433396    0.3059910150690817    0.5757778454701409 S
   0.3087223591136957    0.8036416890709035    0.0821510357314797 S
   0.5743498660006090    0.8053284682526411    0.3038345675005894 S
   0.0820962324593892    0.3101077245668131    0.7965867932037383 S
   0.3064650259866891    0.5718363376270206    0.8090983105697611 S
   0.8002543580789259    0.0809167286190585    0.3042436103143815 S
