P   LATTICE,NONEQUIV.ATOMS   4   58 Pnnm    
MODE OF CALC=RELA unit=bohr
 10.215859 21.837675  6.652025 90.000000 90.000000 90.000000
ATOM  -1: X=0.32700000 Y=0.35100000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -1: X=0.67300000 Y=0.64900000 Z=0.00000000
      -1: X=0.17300000 Y=0.85100000 Z=0.50000000
      -1: X=0.82700000 Y=0.14900000 Z=0.50000000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.31500000 Y=0.09000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -2: X=0.68500000 Y=0.91000000 Z=0.00000000
      -2: X=0.18500000 Y=0.59000000 Z=0.50000000
      -2: X=0.81500000 Y=0.41000000 Z=0.50000000
Al         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  13.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.21200000 Y=0.67000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -3: X=0.78800000 Y=0.33000000 Z=0.00000000
      -3: X=0.28800000 Y=0.17000000 Z=0.50000000
      -3: X=0.71200000 Y=0.83000000 Z=0.50000000
C          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   6.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -4: X=0.50000000 Y=0.50000000 Z=0.50000000
C          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   6.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000