CXY LATTICE,NONEQUIV.ATOMS   4   65 Cmmm                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.142495 15.395599 11.540557 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.33800000 Z=0.25400000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.66200000 Z=0.74600000
      -1: X=0.00000000 Y=0.33800000 Z=0.74600000
      -1: X=0.00000000 Y=0.66200000 Z=0.25400000
Ti         NPT=  781  R0=.000050000 RMT= 1.69        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Zr         NPT=  781  R0=.000010000 RMT= 2.01        Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Zr         NPT=  781  R0=.000010000 RMT= 2.01        Z:  40.00000              
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=0.25000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.75000000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.52        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000