P   LATTICE,NONEQUIV.ATOMS   4   59 Pmmn                                       
MODE OF CALC=RELA unit=bohr                                                    
  7.749767  8.619041  7.490874 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.75000000 Z=0.12300000
          MULT= 2          ISPLIT= 8
      -1: X=0.75000000 Y=0.25000000 Z=0.87700000
Ca         NPT=  781  R0=.000050000 RMT= 2.09        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.25000000 Z=0.49040000
          MULT= 2          ISPLIT= 8
      -2: X=0.75000000 Y=0.75000000 Z=0.50960000
C          NPT=  781  R0=.000100000 RMT= 1.12        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25000000 Y=0.25000000 Z=0.17000000
          MULT= 2          ISPLIT= 8
      -3: X=0.75000000 Y=0.75000000 Z=0.83000000
O          NPT=  781  R0=.000100000 RMT= 1.24        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25000000 Y=0.01020000 Z=0.64730000
          MULT= 4          ISPLIT= 8
      -4: X=0.75000000 Y=0.98980000 Z=0.35270000
      -4: X=0.75000000 Y=0.51020000 Z=0.35270000
      -4: X=0.25000000 Y=0.48980000 Z=0.64730000
O          NPT=  781  R0=.000100000 RMT= 1.24        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000