2 3
Zr 12.00 0.470000 6.342618 -1.732171 0.000000 0.000000
2
0.262510 11.101775 -3.714117
9.589809
0.288814 3.446820 -1.787087
4.229020
0.588252 0.334637 0.086216
-0.195520
4
4 0 2.0 1
4 1 6.0 1
4 2 2.0 0
5 0 2.0 0