P   LATTICE,NONEQUIV.ATOMS   3   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.372372  6.829470 13.271547 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.24610000 Y=0.25000000 Z=0.39060000
          MULT= 4          ISPLIT= 8
      -1: X=0.75390000 Y=0.75000000 Z=0.60940000
      -1: X=0.74610000 Y=0.25000000 Z=0.10940000
      -1: X=0.25390000 Y=0.75000000 Z=0.89060000
Ca         NPT=  781  R0=.000050000 RMT= 2.12        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=0.14050000 Y=0.25000000 Z=0.07310000
          MULT= 4          ISPLIT= 8
      -2: X=0.85950000 Y=0.75000000 Z=0.92690000
      -2: X=0.64050000 Y=0.25000000 Z=0.42690000
      -2: X=0.35950000 Y=0.75000000 Z=0.57310000
F          NPT=  781  R0=.000100000 RMT= 2.23        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.02200000 Y=0.25000000 Z=0.66560000
          MULT= 4          ISPLIT= 8
      -3: X=0.97800000 Y=0.75000000 Z=0.33440000
      -3: X=0.52200000 Y=0.25000000 Z=0.83440000
      -3: X=0.47800000 Y=0.75000000 Z=0.16560000
F          NPT=  781  R0=.000100000 RMT= 2.23        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000