 H O Al Si Ca
   1.0
     5.6845601099999996    0.0000000000000000    0.0000000000000000
     0.0000000000000000    7.0196512799999997    0.0000000000000000
     0.0000000000000000    0.0000000000000000    8.5248207899999997
 H O Al Si Ca
   4  20   4   4   4
Direct
   0.9785772200000000  0.9703338100000000  0.4953192300000000
   0.4785772200000000  0.5296661899999999  0.5046807700000000
   0.0214227800000000  0.4703338100000000  0.0046807700000000
   0.5214227800000000  0.0296661900000000  0.9953192300000000
   0.9950910700000000  0.1021878200000000  0.4359144200000000
   0.4950910700000000  0.3978121800000000  0.5640855800000000
   0.0049089300000000  0.6021878199999999  0.0640855800000000
   0.5049089300000000  0.8978121800000000  0.9359144200000000
   0.2566930700000000  0.8866914900000000  0.1941693800000000
   0.7566930700000000  0.6133085100000000  0.8058306200000001
   0.7433069299999999  0.3866914900000000  0.3058306200000000
   0.2433069300000000  0.1133085100000000  0.6941693799999999
   0.9894773500000000  0.9294805700000000  0.9306071000000000
   0.4894773500000000  0.5705194300000000  0.0693929000000000
   0.0105226500000000  0.4294805700000000  0.5693929000000000
   0.5105226500000000  0.0705194300000000  0.4306071000000000
   0.0748506100000000  0.2909882200000000  0.9347320500000000
   0.5748506099999999  0.2090117800000000  0.0652679500000000
   0.9251493900000000  0.7909882200000000  0.5652679500000000
   0.4251493900000000  0.7090117800000000  0.4347320500000000
   0.7658063900000001  0.1493289500000000  0.7116323500000000
   0.2658063900000000  0.3506710500000000  0.2883676500000000
   0.2341936100000000  0.6493289500000000  0.7883676500000000
   0.7341936099999999  0.8506710500000000  0.2116323500000000
   0.7441898300000001  0.7393640600000000  0.0044447300000000
   0.2441898300000000  0.7606359400000000  0.9955552700000000
   0.7558101699999999  0.2606359400000000  0.5044447300000000
   0.2558101700000000  0.2393640600000000  0.4955552700000000
   0.4880265500000000  0.8788519700000000  0.3113269100000000
   0.5119734500000002  0.3788519700000000  0.1886730900000000
   0.9880265499999999  0.6211480300000001  0.6886730900000000
   0.0119734500000000  0.1211480300000000  0.8113269100000000
   0.9710959100000000  0.1356453700000000  0.1665530300000000
   0.4710959100000000  0.3643546300000000  0.8334469700000000
   0.0289040900000000  0.6356453700000000  0.3334469700000000
   0.5289040899999999  0.8643546300000000  0.6665530300000000