# Details of computing
0: TIYQAU.cif
1: TIYQAU01.cif
2: TIYQAU02.cif


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

	0	1	2
0	0.0000	72.9986	2.4001
1	72.9986	0.0000	117.8391
2	2.4001	117.8391	0.0000