'Cu' 'fcc' 12 29 63.546 4.8245 3.6844 4.2977 5.7533 0.117 3.6133156519 3.54 0.9097 1 2.3247 6.935 6.0024 1.00 3 'N' 'dim' 1 7 14.007 5.9600000000 2.75 4.00 4.00 4.00 1.1000000000 4.88 1.80 1 0.05 1.00 0.00 18.00 3 'Ti' 'hcp' 12 22 47.880 4.4097 1.5804 0.0824 2.8851 0.0016 2.9200000000 4.87 1.1859 1 5.5512 6.7949 -2.0512 1.00 3