P   LATTICE,NONEQUIV.ATOMS   7   19 P212121                                    
MODE OF CALC=RELA unit=bohr                                                    
 13.058008 13.483196 34.580099 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12290000 Y=0.58460000 Z=0.01130000
          MULT= 4          ISPLIT= 8
      -1: X=0.37710000 Y=0.41540000 Z=0.51130000
      -1: X=0.62290000 Y=0.91540000 Z=0.98870000
      -1: X=0.87710000 Y=0.08460000 Z=0.48870000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.41500000 Y=0.24310000 Z=0.16270000
          MULT= 4          ISPLIT= 8
      -2: X=0.08500000 Y=0.75690000 Z=0.66270000
      -2: X=0.91500000 Y=0.25690000 Z=0.83730000
      -2: X=0.58500000 Y=0.74310000 Z=0.33730000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.09380000 Y=0.08360000 Z=0.01820000
          MULT= 4          ISPLIT= 8
      -3: X=0.40620000 Y=0.91640000 Z=0.51820000
      -3: X=0.59380000 Y=0.41640000 Z=0.98180000
      -3: X=0.90620000 Y=0.58360000 Z=0.48180000
Se         NPT=  781  R0=.000050000 RMT= 2.17        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  -4: X=0.07440000 Y=0.63700000 Z=0.37460000
          MULT= 4          ISPLIT= 8
      -4: X=0.42560000 Y=0.36300000 Z=0.87460000
      -4: X=0.57440000 Y=0.86300000 Z=0.62540000
      -4: X=0.92560000 Y=0.13700000 Z=0.12540000
Se         NPT=  781  R0=.000050000 RMT= 2.17        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  -5: X=0.03740000 Y=0.37580000 Z=0.29690000
          MULT= 4          ISPLIT= 8
      -5: X=0.46260000 Y=0.62420000 Z=0.79690000
      -5: X=0.53740000 Y=0.12420000 Z=0.70310000
      -5: X=0.96260000 Y=0.87580000 Z=0.20310000
Se         NPT=  781  R0=.000050000 RMT= 2.17        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  -6: X=0.24020000 Y=0.14270000 Z=0.34850000
          MULT= 4          ISPLIT= 8
      -6: X=0.25980000 Y=0.85730000 Z=0.84850000
      -6: X=0.74020000 Y=0.35730000 Z=0.65150000
      -6: X=0.75980000 Y=0.64270000 Z=0.15150000
Se         NPT=  781  R0=.000050000 RMT= 2.17        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  -7: X=0.55910000 Y=0.24450000 Z=0.33800000
          MULT= 4          ISPLIT= 8
      -7: X=0.94090000 Y=0.75550000 Z=0.83800000
      -7: X=0.05910000 Y=0.25550000 Z=0.66200000
      -7: X=0.44090000 Y=0.74450000 Z=0.16200000
Se         NPT=  781  R0=.000050000 RMT= 2.17        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000