P   LATTICE,NONEQUIV.ATOMS   7   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.333908 10.499318  7.110473 90.000000 90.000000101.360000                   
ATOM  -1: X=0.92730000 Y=0.23090000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.07270000 Y=0.76910000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.19        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.37100000 Y=0.34540000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.62900000 Y=0.65460000 Z=0.75000000
Al         NPT=  781  R0=.000100000 RMT= 1.75        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=0.38820000 Y=0.84340000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.61180000 Y=0.15660000 Z=0.75000000
Al         NPT=  781  R0=.000100000 RMT= 1.75        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=0.19340000 Y=0.56120000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.80660000 Y=0.43880000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.75        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=0.19680000 Y=0.04720000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.80320000 Y=0.95280000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.75        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=0.57460000 Y=0.13770000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.42540000 Y=0.86230000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.75        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=0.57130000 Y=0.63610000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.42870000 Y=0.36390000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000