calcium zirconate
    1.000000000
    5.591110229    0.000000000    0.000000000
    0.000000000    5.761280060    0.000000000
    0.000000000    0.000000000   36.033739090
Ca    Zr    O    
10     8     26
Direct
    0.987499999    0.951499996    0.444964615
    0.987499999    0.951499996    0.222482304
    0.987499999    0.951499996    0.000000000
    0.012499949    0.048500035    0.333723453
    0.012499949    0.048500035    0.111241142
    0.487500009    0.548499993    0.333723453
    0.487500009    0.548499993    0.111241142
    0.512499991    0.451500007    0.444964615
    0.512499991    0.451500007    0.222482304
    0.512499991    0.451500007    0.000000000
    0.000000000    0.500000000    0.278102882
    0.000000000    0.500000000    0.055620571
    0.500000000    0.000000000    0.278102882
    0.500000000    0.000000000    0.055620571
    0.000000000    0.500000000    0.389344038
    0.000000000    0.500000000    0.166861727
    0.500000000    0.000000000    0.389344038
    0.500000000    0.000000000    0.166861727
    0.396399980    0.039700040    0.444964615
    0.396399980    0.039700040    0.222482304
    0.396399980    0.039700040    0.000000000
    0.603600020    0.960299999    0.333723453
    0.603600020    0.960299999    0.111241142
    0.896399970    0.460299960    0.333723453
    0.896399970    0.460299960    0.111241142
    0.103600062    0.539699999    0.444964615
    0.103600062    0.539699999    0.222482304
    0.103600062    0.539699999    0.000000000
    0.697800004    0.699999979    0.265955348
    0.697800004    0.699999979    0.043473037
    0.302199975    0.300000000    0.290250421
    0.302199975    0.300000000    0.067768110
    0.197800025    0.800000021    0.290250421
    0.197800025    0.800000021    0.067768110
    0.802199996    0.200000000    0.265955348
    0.802199996    0.200000000    0.043473037
    0.302199975    0.300000000    0.377196499
    0.302199975    0.300000000    0.154714188
    0.697800004    0.699999979    0.401491570
    0.697800004    0.699999979    0.179009259
    0.802199996    0.200000000    0.401491570
    0.802199996    0.200000000    0.179009259
    0.197800025    0.800000021    0.377196499
    0.197800025    0.800000021    0.154714188
