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  1. #!/bin/bash
  2.  
  3. sed '1d;2d;s/ .*//'|sort|uniq -c|sed -Ez 's/\s*(\S+) (\S+)/\2_\1/g'
Success #stdin #stdout 0s 5076KB
stdin
5  
A mystery chemical formula...  
Ba      0.000   0.000  0.000  
Hf      0.5     0.5    0.5  
O       0.5     0.5    0.000  
O       0.5     0.000  0.5  
O       0.000   0.5    0.5  
stdout
Ba_1Hf_1O_3