 O Na S Ca
   1.0
    10.0535847700000005    0.0000000000000000    0.0629195500000000
     0.0000000000000000    8.2588608400000005    0.0000000000000000
    -3.1742247899999998    0.0000000000000000    7.8974697699999998
 O Na S Ca
  32   8   8   4
Direct
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   0.1111728700000000  0.6271852700000000  0.6325472900000000
   0.1111728700000000  0.3728147300000000  0.1325472900000000
   0.8888271300000000  0.3728147300000000  0.3674527100000000
   0.8378820800000000  0.8366406900000000  0.6557171700000000
   0.1621179200000000  0.8366406900000000  0.8442828300000000
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   0.1604938700000000  0.2703127800000000  0.7774145900000000
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   0.6111728700000000  0.1271852700000000  0.6325472900000000
   0.6111728700000000  0.8728147300000000  0.1325472900000000
   0.3888271300000000  0.8728147300000000  0.3674527100000000
   0.3378820800000000  0.3366406900000000  0.6557171700000000
   0.6621179200000000  0.3366406900000000  0.8442828300000000
   0.6621179200000000  0.6633593099999999  0.3442828300000000
   0.3378820800000000  0.6633593099999999  0.1557171700000000
   0.6604938700000000  0.7703127800000000  0.7774145900000000
   0.3395061300000000  0.7703127800000000  0.7225854100000000
   0.8774168000000000  0.0856116700000000  0.4402743300000000
   0.1225832000000000  0.0856116700000000  0.0597256700000000
   0.1225832000000000  0.9143883300000000  0.5597256700000000
   0.8774168000000000  0.9143883300000000  0.9402743300000000
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   0.1404454700000000  0.4475680100000000  0.4356191800000000
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   0.3595545300000000  0.0524319900000000  0.5643808200000000
   0.6404454700000000  0.9475680100000000  0.4356191800000000
   0.6404454700000000  0.0524319900000000  0.9356191800000000
   0.3595545300000000  0.9475680100000000  0.0643808200000000
   0.1842122900000000  0.2153037900000000  0.1874091900000000
   0.8157877099999999  0.7846962100000000  0.8125908100000000
   0.8157877099999999  0.2153037900000000  0.3125908100000000
   0.1842122900000000  0.7846962100000000  0.6874091900000000
   0.6842122900000001  0.7153037900000000  0.1874091900000000
   0.3157877100000000  0.2846962100000000  0.8125908100000000
   0.3157877100000000  0.7153037900000000  0.3125908100000000
   0.6842122900000001  0.2846962100000000  0.6874091900000000
   0.0000000000000000  0.9398662200000000  0.2500000000000000
   0.0000000000000000  0.0601337800000000  0.7500000000000000
   0.5000000000000000  0.4398662200000000  0.2500000000000000
   0.5000000000000000  0.5601337800000000  0.7500000000000000