P   LATTICE,NONEQUIV.ATOMS   4   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.284775 18.121718 12.352384 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.40970000 Y=0.25000000 Z=0.03330000
          MULT= 4          ISPLIT= 8
      -1: X=0.59030000 Y=0.75000000 Z=0.96670000
      -1: X=0.90970000 Y=0.25000000 Z=0.46670000
      -1: X=0.09030000 Y=0.75000000 Z=0.53330000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     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=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
      -2: X=0.00000000 Y=0.50000000 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
ATOM  -3: X=0.53450000 Y=0.25000000 Z=0.62520000
          MULT= 4          ISPLIT= 8
      -3: X=0.46550000 Y=0.75000000 Z=0.37480000
      -3: X=0.03450000 Y=0.25000000 Z=0.87480000
      -3: X=0.96550000 Y=0.75000000 Z=0.12520000
S          NPT=  781  R0=.000100000 RMT= 2.21        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.18970000 Y=0.06260000 Z=0.31850000
          MULT= 8          ISPLIT= 8
      -4: X=0.81030000 Y=0.93740000 Z=0.68150000
      -4: X=0.68970000 Y=0.06260000 Z=0.18150000
      -4: X=0.31030000 Y=0.93740000 Z=0.81850000
      -4: X=0.31030000 Y=0.56260000 Z=0.81850000
      -4: X=0.68970000 Y=0.43740000 Z=0.18150000
      -4: X=0.81030000 Y=0.56260000 Z=0.68150000
      -4: X=0.18970000 Y=0.43740000 Z=0.31850000
S          NPT=  781  R0=.000100000 RMT= 2.21        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000