 H O Ca As
   1.0
     6.5553589900000002    0.0000000000000000   -0.0266996400000000
     0.0000000000000000   15.0853410700000001    0.0000000000000000
    -3.0756306699999998    0.0000000000000000    5.0875611300000001
 H O Ca As
  20  24   4   4
Direct
   0.6962382000000000  0.3298495900000000  0.8427724100000000
   0.1962382000000000  0.1701504100000000  0.3427724100000000
   0.2353044400000000  0.4930314400000000  0.9048843100000000
   0.7353044399999999  0.0069685600000000  0.4048843100000000
   0.2513596200000000  0.4145586800000000  0.7312468700000000
   0.7513596200000000  0.0854413200000000  0.2312468700000000
   0.2372424700000000  0.0123033400000000  0.4804547900000000
   0.7372424700000000  0.4876966600000000  0.9804547900000000
   0.9067379799999999  0.4327156500000000  0.6480722000000000
   0.4067379800000000  0.0672843500000000  0.1480722000000000
   0.1962382000000000  0.8298495900000000  0.8427724100000000
   0.6962382000000000  0.6701504100000000  0.3427724100000000
   0.7353044399999999  0.9930314400000000  0.9048843100000000
   0.2353044400000000  0.5069685600000000  0.4048843100000000
   0.7513596200000000  0.9145586800000000  0.7312468700000000
   0.2513596200000000  0.5854413199999999  0.2312468700000000
   0.7372424700000000  0.5123033400000000  0.4804547900000000
   0.2372424700000000  0.9876966600000000  0.9804547900000000
   0.4067379800000000  0.9327156500000000  0.6480722000000000
   0.9067379799999999  0.5672843500000000  0.1480722000000000
   0.7458905700000000  0.4464898500000000  0.4936110000000000
   0.7330945700000000  0.0736663800000000  0.3869243100000000
   0.2330945700000000  0.4263336200000000  0.8869243099999999
   0.2458905700000000  0.0535101500000000  0.9936110000000000
   0.7605491400000000  0.3744174100000000  0.0001263400000000
   0.2605491400000000  0.1255825900000000  0.5001263400000000
   0.8961963100000000  0.2764459700000000  0.4354977800000000
   0.3961963100000000  0.2235540300000000  0.9354977799999999
   0.2281283000000000  0.3992233800000000  0.4346893100000000
   0.7281283000000001  0.1007766200000000  0.9346893100000000
   0.1241688000000000  0.2485377600000000  0.1545347900000000
   0.6241688000000001  0.2514622400000000  0.6545347900000000
   0.2458905700000000  0.9464898500000000  0.4936110000000000
   0.2330945700000000  0.5736663799999999  0.3869243100000000
   0.7330945700000000  0.9263336200000000  0.8869243099999999
   0.7458905700000000  0.5535101499999999  0.9936110000000000
   0.2605491400000000  0.8744174100000000  0.0001263400000000
   0.7605491400000000  0.6255825900000000  0.5001263400000000
   0.3961963100000000  0.7764459700000000  0.4354977800000000
   0.8961963100000000  0.7235540300000001  0.9354977799999999
   0.7281283000000001  0.8992233800000000  0.4346893100000000
   0.2281283000000000  0.6007766200000000  0.9346893100000000
   0.6241688000000001  0.7485377600000001  0.1545347900000000
   0.1241688000000000  0.7514622399999999  0.6545347900000000
   0.4915088200000000  0.3301268500000000  0.2546290800000000
   0.9915088200000000  0.1698731500000000  0.7546290800000000
   0.9915088200000000  0.8301268500000000  0.2546290800000000
   0.4915088200000000  0.6698731499999999  0.7546290800000000
   0.0090807300000000  0.3244580400000000  0.2709568400000000
   0.5090807300000000  0.1755419600000000  0.7709568400000000
   0.5090807300000000  0.8244580400000000  0.2709568400000000
   0.0090807300000000  0.6755419600000000  0.7709568400000000