2 3
Cu 1.00 0.580000 0.000000 0.000000 0.000000 0.000000
3
0.843283 0.975787 0.318386 -0.032507
-0.822070 0.083931
-0.133237
2
1.089543 0.024580 0.105222
-0.249001
1
1.291602 -0.065292
4 0 1.0 0