 S Ca Zr
   1.0
     7.0070294999999998    0.0000000000000000    0.0000000000000000
     0.0000000000000000    9.5149578500000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.4428240199999998
 S Ca Zr
  12   4   4
Direct
   0.1880517900000000  0.0641752800000000  0.3214691800000000
   0.3119482100000000  0.9358247200000001  0.8214691800000000
   0.6880517900000001  0.4358247200000000  0.1785308200000000
   0.8119482099999999  0.5641752799999999  0.6785308200000000
   0.8119482099999999  0.9358247200000001  0.6785308200000000
   0.6880517900000001  0.0641752800000000  0.1785308200000000
   0.3119482100000000  0.5641752799999999  0.8214691800000000
   0.1880517900000000  0.4358247200000000  0.3214691800000000
   0.9665969500000000  0.7500000000000000  0.1269529600000000
   0.5334030500000000  0.2500000000000000  0.6269529600000000
   0.4665969500000000  0.7500000000000000  0.3730470400000000
   0.0334030500000000  0.2500000000000000  0.8730470400000000
   0.0973636700000000  0.7500000000000000  0.5356755200000001
   0.4026363300000000  0.2500000000000000  0.0356755200000000
   0.5973636700000000  0.7500000000000000  0.9643244800000000
   0.9026363300000000  0.2500000000000000  0.4643244800000000
   0.0000000000000000  0.5000000000000000  0.0000000000000000
   0.5000000000000000  0.5000000000000000  0.5000000000000000
   0.5000000000000000  0.0000000000000000  0.5000000000000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000