P   LATTICE,NONEQUIV.ATOMS   3   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.991095  8.968640  7.893386 90.000000 90.000000104.140000                   
ATOM  -1: X=0.28500000 Y=0.34830000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.71500000 Y=0.65170000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     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=0.01880000 Y=0.72010000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.98120000 Y=0.27990000 Z=0.75000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.61610000 Y=0.09840000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.38390000 Y=0.90160000 Z=0.75000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000