P   LATTICE,NONEQUIV.ATOMS   7   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.518096 17.434613 10.085468 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00090000 Y=0.29630000 Z=0.99970000
          MULT= 4          ISPLIT= 8
      -1: X=0.99910000 Y=0.70370000 Z=0.49970000
      -1: X=0.49910000 Y=0.79630000 Z=0.49970000
      -1: X=0.50090000 Y=0.20370000 Z=0.99970000
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=0.19390000 Y=0.08400000 Z=0.51840000
          MULT= 4          ISPLIT= 8
      -2: X=0.80610000 Y=0.91600000 Z=0.01840000
      -2: X=0.30610000 Y=0.58400000 Z=0.01840000
      -2: X=0.69390000 Y=0.41600000 Z=0.51840000
Si         NPT=  781  R0=.000100000 RMT= 1.40        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.31280000 Y=0.41660000 Z=0.51700000
          MULT= 4          ISPLIT= 8
      -3: X=0.68720000 Y=0.58340000 Z=0.01700000
      -3: X=0.18720000 Y=0.91660000 Z=0.01700000
      -3: X=0.81280000 Y=0.08340000 Z=0.51700000
Al         NPT=  781  R0=.000100000 RMT= 1.62        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  -4: X=0.01000000 Y=0.08480000 Z=0.51760000
          MULT= 4          ISPLIT= 8
      -4: X=0.99000000 Y=0.91520000 Z=0.01760000
      -4: X=0.49000000 Y=0.58480000 Z=0.01760000
      -4: X=0.51000000 Y=0.41520000 Z=0.51760000
O          NPT=  781  R0=.000100000 RMT= 1.62        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=0.24310000 Y=0.46890000 Z=0.22470000
          MULT= 4          ISPLIT= 8
      -5: X=0.75690000 Y=0.53110000 Z=0.72470000
      -5: X=0.25690000 Y=0.96890000 Z=0.72470000
      -5: X=0.74310000 Y=0.03110000 Z=0.22470000
O          NPT=  781  R0=.000100000 RMT= 1.62        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=0.25680000 Y=0.03810000 Z=0.24340000
          MULT= 4          ISPLIT= 8
      -6: X=0.74320000 Y=0.96190000 Z=0.74340000
      -6: X=0.24320000 Y=0.53810000 Z=0.74340000
      -6: X=0.75680000 Y=0.46190000 Z=0.24340000
O          NPT=  781  R0=.000100000 RMT= 1.62        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=0.25350000 Y=0.24360000 Z=0.59570000
          MULT= 4          ISPLIT= 8
      -7: X=0.74650000 Y=0.75640000 Z=0.09570000
      -7: X=0.24650000 Y=0.74360000 Z=0.09570000
      -7: X=0.75350000 Y=0.25640000 Z=0.59570000
O          NPT=  781  R0=.000100000 RMT= 1.62        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000