R050031
Tetragonal
1.541838 1.540562 1.544390
 27.4681    1   1   0   2
 36.1113    1   0   1   2
 39.2185    2   0   0   2
 41.2751    1   1   1   2
 44.0658    2   1   0   2
 54.3463    2   1   1   2
 56.6544    2   2   0   2
 62.7784    0   0   2   2
 64.0745    3   1   0   2
 69.0276    3   0   1   2
 69.8297    1   1   2   2
 76.5455    2   0   2   2
 79.8487    2   1   2   2
 82.3513    3   2   1   2
 84.2708    4   0   0   2