P   LATTICE,NONEQUIV.ATOMS   2   58 Pnnm                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.572537 13.015489  8.271898 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
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=0.27490000 Y=0.32940000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.72510000 Y=0.67060000 Z=0.00000000
      -2: X=0.22510000 Y=0.82940000 Z=0.50000000
      -2: X=0.77490000 Y=0.17060000 Z=0.50000000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000