# Details of computing
0: LIXCUR.cif
1: LIXCUR01.cif
2: UPABOD.cif
3: XIYTEG.cif
-------------------------------------
0
1
2
3
0
0.0000
0.2165
122.8604
53.2263
1
0.2165
0.0000
126.4375
52.2336
2
122.8604
126.4375
0.0000
93.3773
3
53.2263
52.2336
93.3773
0.0000