P   LATTICE,NONEQUIV.ATOMS  13    4 P21                                        
MODE OF CALC=RELA unit=bohr                                                    
 33.373319 17.820117  7.677957 90.000000 90.000000100.914000                   
ATOM  -1: X=0.12410000 Y=0.06720000 Z=0.74360000
          MULT= 2          ISPLIT= 8
      -1: X=0.87590000 Y=0.93280000 Z=0.24360000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.81290000 Y=0.17910000 Z=0.24210000
          MULT= 2          ISPLIT= 8
      -2: X=0.18710000 Y=0.82090000 Z=0.74210000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.60460000 Y=0.01510000 Z=0.73420000
          MULT= 2          ISPLIT= 8
      -3: X=0.39540000 Y=0.98490000 Z=0.23420000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.53380000 Y=0.67010000 Z=0.25260000
          MULT= 2          ISPLIT= 8
      -4: X=0.46620000 Y=0.32990000 Z=0.75260000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.72840000 Y=0.52530000 Z=0.25920000
          MULT= 2          ISPLIT= 8
      -5: X=0.27160000 Y=0.47470000 Z=0.75920000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.04710000 Y=0.35270000 Z=0.24120000
          MULT= 2          ISPLIT= 8
      -6: X=0.95290000 Y=0.64730000 Z=0.74120000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00650000 Y=0.83720000 Z=0.25420000
          MULT= 2          ISPLIT= 8
      -7: X=0.99350000 Y=0.16280000 Z=0.75420000
Se         NPT=  781  R0=.000050000 RMT= 2.39        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.34100000 Y=0.12200000 Z=0.75860000
          MULT= 2          ISPLIT= 8
      -8: X=0.65900000 Y=0.87800000 Z=0.25860000
Se         NPT=  781  R0=.000050000 RMT= 2.39        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.27320000 Y=0.76000000 Z=0.24770000
          MULT= 2          ISPLIT= 8
      -9: X=0.72680000 Y=0.24000000 Z=0.74770000
Se         NPT=  781  R0=.000050000 RMT= 2.39        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.09200000 Y=0.55710000 Z=0.74050000
          MULT= 2          ISPLIT= 8
     -10: X=0.90800000 Y=0.44290000 Z=0.24050000
Se         NPT=  781  R0=.000050000 RMT= 2.39        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.17960000 Y=0.24470000 Z=0.24620000
          MULT= 2          ISPLIT= 8
     -11: X=0.82040000 Y=0.75530000 Z=0.74620000
Se         NPT=  781  R0=.000050000 RMT= 2.39        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -12: X=0.40740000 Y=0.47030000 Z=0.25620000
          MULT= 2          ISPLIT= 8
     -12: X=0.59260000 Y=0.52970000 Z=0.75620000
Se         NPT=  781  R0=.000050000 RMT= 2.39        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -13: X=0.53290000 Y=0.16980000 Z=0.25880000
          MULT= 2          ISPLIT= 8
     -13: X=0.46710000 Y=0.83020000 Z=0.75880000
Se         NPT=  781  R0=.000050000 RMT= 2.39        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000