P   LATTICE,NONEQUIV.ATOMS   7   19 P212121                                    
MODE OF CALC=RELA unit=bohr                                                    
 12.724660 14.424469 15.811528 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.10770000 Y=0.46240000 Z=0.03960000
          MULT= 4          ISPLIT= 8
      -1: X=0.39230000 Y=0.53760000 Z=0.53960000
      -1: X=0.60770000 Y=0.03760000 Z=0.96040000
      -1: X=0.89230000 Y=0.96240000 Z=0.46040000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.10520000 Y=0.03420000 Z=0.13500000
          MULT= 4          ISPLIT= 8
      -2: X=0.39480000 Y=0.96580000 Z=0.63500000
      -2: X=0.60520000 Y=0.46580000 Z=0.86500000
      -2: X=0.89480000 Y=0.53420000 Z=0.36500000
N          NPT=  781  R0=.000100000 RMT= 1.13        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.50770000 Y=0.22070000 Z=0.27550000
          MULT= 4          ISPLIT= 8
      -3: X=0.99230000 Y=0.77930000 Z=0.77550000
      -3: X=0.00770000 Y=0.27930000 Z=0.72450000
      -3: X=0.49230000 Y=0.72070000 Z=0.22450000
N          NPT=  781  R0=.000100000 RMT= 1.13        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.05130000 Y=0.62250000 Z=0.34280000
          MULT= 4          ISPLIT= 8
      -4: X=0.44870000 Y=0.37750000 Z=0.84280000
      -4: X=0.55130000 Y=0.87750000 Z=0.65720000
      -4: X=0.94870000 Y=0.12250000 Z=0.15720000
O          NPT=  781  R0=.000100000 RMT= 1.19        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.20680000 Y=0.08820000 Z=0.02140000
          MULT= 4          ISPLIT= 8
      -5: X=0.29320000 Y=0.91180000 Z=0.52140000
      -5: X=0.70680000 Y=0.41180000 Z=0.97860000
      -5: X=0.79320000 Y=0.58820000 Z=0.47860000
O          NPT=  781  R0=.000100000 RMT= 1.19        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.09100000 Y=0.28420000 Z=0.59300000
          MULT= 4          ISPLIT= 8
      -6: X=0.40900000 Y=0.71580000 Z=0.09300000
      -6: X=0.59100000 Y=0.21580000 Z=0.40700000
      -6: X=0.90900000 Y=0.78420000 Z=0.90700000
O          NPT=  781  R0=.000100000 RMT= 1.19        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.36810000 Y=0.33090000 Z=0.26730000
          MULT= 4          ISPLIT= 8
      -7: X=0.13190000 Y=0.66910000 Z=0.76730000
      -7: X=0.86810000 Y=0.16910000 Z=0.73270000
      -7: X=0.63190000 Y=0.83090000 Z=0.23270000
O          NPT=  781  R0=.000100000 RMT= 1.19        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000