P   LATTICE,NONEQUIV.ATOMS   3   26 Pmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
  6.281450  7.834805 10.744983 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.13500000 Z=0.79700000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.86500000 Z=0.29700000
Ca         NPT=  781  R0=.000050000 RMT= 2.02        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.50000000 Y=0.09500000 Z=0.51800000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.90500000 Z=0.01800000
F          NPT=  781  R0=.000100000 RMT= 2.12        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.37200000 Z=0.15200000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.62800000 Z=0.65200000
F          NPT=  781  R0=.000100000 RMT= 2.12        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000