CXZ LATTICE,NONEQUIV.ATOMS   3   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.298768 14.405382  6.181294 90.000000 90.000000 76.744000                   
ATOM  -1: X=0.80860000 Y=0.13700000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.19140000 Y=0.86300000 Z=0.00000000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.86660000 Y=0.52600000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.13340000 Y=0.47400000 Z=0.00000000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.52610000 Y=0.19310000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.47390000 Y=0.80690000 Z=0.00000000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000