P   LATTICE,NONEQUIV.ATOMS   2  221 Pm-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
  7.845009  7.845009  7.845009 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
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=0.20190000 Y=0.50000000 Z=0.50000000
          MULT= 6          ISPLIT=-2
      -2: X=0.79810000 Y=0.50000000 Z=0.50000000
      -2: X=0.50000000 Y=0.20190000 Z=0.50000000
      -2: X=0.50000000 Y=0.79810000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.20190000
      -2: X=0.50000000 Y=0.50000000 Z=0.79810000
B          NPT=  781  R0=.000100000 RMT= 1.57        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000