P   LATTICE,NONEQUIV.ATOMS   4  137 P42/nmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 15.080015 15.080015 26.953164 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.50200000 Z=0.00900000
          MULT= 8          ISPLIT= 8
      -1: X=0.75000000 Y=0.49800000 Z=0.99100000
      -1: X=0.99800000 Y=0.25000000 Z=0.50900000
      -1: X=0.00200000 Y=0.75000000 Z=0.49100000
      -1: X=0.25000000 Y=0.99800000 Z=0.00900000
      -1: X=0.75000000 Y=0.00200000 Z=0.99100000
      -1: X=0.50200000 Y=0.25000000 Z=0.50900000
      -1: X=0.49800000 Y=0.75000000 Z=0.49100000
Li         NPT=  781  R0=.000100000 RMT= 1.98        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.25000000 Y=0.50700000 Z=0.35759000
          MULT= 8          ISPLIT= 8
      -2: X=0.75000000 Y=0.49300000 Z=0.64241000
      -2: X=0.99300000 Y=0.25000000 Z=0.85759000
      -2: X=0.00700000 Y=0.75000000 Z=0.14241000
      -2: X=0.25000000 Y=0.99300000 Z=0.35759000
      -2: X=0.75000000 Y=0.00700000 Z=0.64241000
      -2: X=0.50700000 Y=0.25000000 Z=0.85759000
      -2: X=0.49300000 Y=0.75000000 Z=0.14241000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.00920000 Z=0.63496000
          MULT= 8          ISPLIT= 8
      -3: X=0.75000000 Y=0.99080000 Z=0.36504000
      -3: X=0.49080000 Y=0.25000000 Z=0.13496000
      -3: X=0.50920000 Y=0.75000000 Z=0.86504000
      -3: X=0.25000000 Y=0.49080000 Z=0.63496000
      -3: X=0.75000000 Y=0.50920000 Z=0.36504000
      -3: X=0.00920000 Y=0.25000000 Z=0.13496000
      -3: X=0.99080000 Y=0.75000000 Z=0.86504000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.25000000 Y=0.00400000 Z=0.16890000
          MULT= 8          ISPLIT= 8
      -4: X=0.75000000 Y=0.99600000 Z=0.83110000
      -4: X=0.49600000 Y=0.25000000 Z=0.66890000
      -4: X=0.50400000 Y=0.75000000 Z=0.33110000
      -4: X=0.25000000 Y=0.49600000 Z=0.16890000
      -4: X=0.75000000 Y=0.50400000 Z=0.83110000
      -4: X=0.00400000 Y=0.25000000 Z=0.66890000
      -4: X=0.99600000 Y=0.75000000 Z=0.33110000
N          NPT=  781  R0=.000100000 RMT= 2.30        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000