CXY LATTICE,NONEQUIV.ATOMS   7   67 Cmma                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.055448 22.153259  8.261505 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -1: X=0.25000000 Y=0.75000000 Z=0.50000000
Ca         NPT=  781  R0=.000050000 RMT= 2.31        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.50000000 Z=0.50000000
Al         NPT=  781  R0=.000100000 RMT= 1.71        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.75000000 Y=0.00000000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT= 1.21        Z:   5.00000              
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=0.13658000 Z=0.04164000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.86342000 Z=0.95836000
      -4: X=0.00000000 Y=0.63658000 Z=0.95836000
      -4: X=0.00000000 Y=0.36342000 Z=0.04164000
B          NPT=  781  R0=.000100000 RMT= 1.21        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.25000000 Z=0.17055000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.75000000 Z=0.82945000
O          NPT=  781  R0=.000100000 RMT= 1.41        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=0.00000000 Y=0.63131000 Z=0.27709000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.36869000 Z=0.72291000
      -6: X=0.00000000 Y=0.13131000 Z=0.72291000
      -6: X=0.00000000 Y=0.86869000 Z=0.27709000
O          NPT=  781  R0=.000100000 RMT= 1.41        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.14664000 Y=0.07316000 Z=0.20025000
          MULT= 8          ISPLIT= 8
      -7: X=0.85336000 Y=0.92684000 Z=0.79975000
      -7: X=0.14664000 Y=0.57316000 Z=0.79975000
      -7: X=0.85336000 Y=0.42684000 Z=0.20025000
      -7: X=0.85336000 Y=0.07316000 Z=0.20025000
      -7: X=0.14664000 Y=0.92684000 Z=0.79975000
      -7: X=0.85336000 Y=0.57316000 Z=0.79975000
      -7: X=0.14664000 Y=0.42684000 Z=0.20025000
O          NPT=  781  R0=.000100000 RMT= 1.41        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000