# Details of computing
0: XONPUN.cif
1: XONQAU.cif
2: XONQAU01.cif


-------------------------------------

	0	1	2
0	0.0000	21.2955	21.2651
1	21.2955	0.0000	0.0492
2	21.2651	0.0492	0.0000