P   LATTICE,NONEQUIV.ATOMS   7   85 P4/n                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.138261 16.138261 23.394810 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.09300000 Y=0.59500000 Z=0.40900000
          MULT= 8          ISPLIT= 8
      -1: X=0.90700000 Y=0.40500000 Z=0.59100000
      -1: X=0.90500000 Y=0.09300000 Z=0.40900000
      -1: X=0.09500000 Y=0.90700000 Z=0.59100000
      -1: X=0.40700000 Y=0.90500000 Z=0.40900000
      -1: X=0.59300000 Y=0.09500000 Z=0.59100000
      -1: X=0.59500000 Y=0.40700000 Z=0.40900000
      -1: X=0.40500000 Y=0.59300000 Z=0.59100000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.14000000 Y=0.57900000 Z=0.08500000
          MULT= 8          ISPLIT= 8
      -2: X=0.86000000 Y=0.42100000 Z=0.91500000
      -2: X=0.92100000 Y=0.14000000 Z=0.08500000
      -2: X=0.07900000 Y=0.86000000 Z=0.91500000
      -2: X=0.36000000 Y=0.92100000 Z=0.08500000
      -2: X=0.64000000 Y=0.07900000 Z=0.91500000
      -2: X=0.57900000 Y=0.36000000 Z=0.08500000
      -2: X=0.42100000 Y=0.64000000 Z=0.91500000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25000000 Y=0.25000000 Z=0.26500000
          MULT= 2          ISPLIT=-2
      -3: X=0.75000000 Y=0.75000000 Z=0.73500000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25000000 Y=0.25000000 Z=0.78300000
          MULT= 2          ISPLIT=-2
      -4: X=0.75000000 Y=0.75000000 Z=0.21700000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.58000000 Y=0.09400000 Z=0.26800000
          MULT= 8          ISPLIT= 8
      -5: X=0.42000000 Y=0.90600000 Z=0.73200000
      -5: X=0.40600000 Y=0.58000000 Z=0.26800000
      -5: X=0.59400000 Y=0.42000000 Z=0.73200000
      -5: X=0.92000000 Y=0.40600000 Z=0.26800000
      -5: X=0.08000000 Y=0.59400000 Z=0.73200000
      -5: X=0.09400000 Y=0.92000000 Z=0.26800000
      -5: X=0.90600000 Y=0.08000000 Z=0.73200000
Se         NPT=  781  R0=.000050000 RMT= 2.50        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=0.25000000 Y=0.25000000 Z=0.51000000
          MULT= 2          ISPLIT=-2
      -6: X=0.75000000 Y=0.75000000 Z=0.49000000
Se         NPT=  781  R0=.000050000 RMT= 2.50        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=0.25000000 Y=0.25000000 Z=0.01000000
          MULT= 2          ISPLIT=-2
      -7: X=0.75000000 Y=0.75000000 Z=0.99000000
Se         NPT=  781  R0=.000050000 RMT= 2.50        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000