calcium zirconate
    1.000000000
    5.591110229    0.000000000    0.000000000
    0.000000000    5.761280060    0.000000000
    0.000000000    0.000000000   36.909181416
Ca    Zr    O    
8     10     28
Direct
    0.987499999    0.951499996    0.391968676
    0.987499999    0.951499996    0.174763383
    0.012499949    0.048500035    0.283366023
    0.012499949    0.048500035    0.066160730
    0.487500009    0.548499993    0.283366023
    0.487500009    0.548499993    0.066160730
    0.512499991    0.451500007    0.391968676
    0.512499991    0.451500007    0.174763383
    0.000000000    0.500000000    0.446269999
    0.000000000    0.500000000    0.229064706
    0.000000000    0.500000000    0.011859414
    0.500000000    0.000000000    0.446269999
    0.500000000    0.000000000    0.229064706
    0.500000000    0.000000000    0.011859414
    0.000000000    0.500000000    0.337667352
    0.000000000    0.500000000    0.120462060
    0.500000000    0.000000000    0.337667352
    0.500000000    0.000000000    0.120462060
    0.396399980    0.039700040    0.391968676
    0.396399980    0.039700040    0.174763383
    0.603600020    0.960299999    0.283366023
    0.603600020    0.960299999    0.066160730
    0.896399970    0.460299960    0.283366023
    0.896399970    0.460299960    0.066160730
    0.103600062    0.539699999    0.391968676
    0.103600062    0.539699999    0.174763383
    0.697800004    0.699999979    0.434410590
    0.697800004    0.699999979    0.217205297
    0.697800004    0.699999979    0.000000000
    0.302199975    0.300000000    0.240924120
    0.302199975    0.300000000    0.023718827
    0.302199975    0.300000000    0.458129412
    0.197800025    0.800000021    0.240924120
    0.197800025    0.800000021    0.023718827
    0.197800025    0.800000021    0.458129412
    0.802199996    0.200000000    0.434410590
    0.802199996    0.200000000    0.217205297
    0.802199996    0.200000000    0.000000000
    0.302199975    0.300000000    0.325807939
    0.302199975    0.300000000    0.108602646
    0.697800004    0.699999979    0.349526760
    0.697800004    0.699999979    0.132321467
    0.802199996    0.200000000    0.349526760
    0.802199996    0.200000000    0.132321467
    0.197800025    0.800000021    0.325807939
    0.197800025    0.800000021    0.108602646
