P   LATTICE,NONEQUIV.ATOMS   4   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.195958 18.022318 12.317235 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.42300000 Y=0.25000000 Z=0.02300000
          MULT= 4          ISPLIT= 8
      -1: X=0.57700000 Y=0.75000000 Z=0.97700000
      -1: X=0.92300000 Y=0.25000000 Z=0.47700000
      -1: X=0.07700000 Y=0.75000000 Z=0.52300000
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
Hf         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  72.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.51800000 Y=0.25000000 Z=0.59900000
          MULT= 4          ISPLIT= 8
      -3: X=0.48200000 Y=0.75000000 Z=0.40100000
      -3: X=0.01800000 Y=0.25000000 Z=0.90100000
      -3: X=0.98200000 Y=0.75000000 Z=0.09900000
S          NPT=  781  R0=.000100000 RMT= 2.09        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=0.19600000 Y=0.04800000 Z=0.30900000
          MULT= 8          ISPLIT= 8
      -4: X=0.80400000 Y=0.95200000 Z=0.69100000
      -4: X=0.69600000 Y=0.04800000 Z=0.19100000
      -4: X=0.30400000 Y=0.95200000 Z=0.80900000
      -4: X=0.30400000 Y=0.54800000 Z=0.80900000
      -4: X=0.69600000 Y=0.45200000 Z=0.19100000
      -4: X=0.80400000 Y=0.54800000 Z=0.69100000
      -4: X=0.19600000 Y=0.45200000 Z=0.30900000
S          NPT=  781  R0=.000100000 RMT= 2.09        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000