P   LATTICE,NONEQUIV.ATOMS   3   31 Pmn21                                      
MODE OF CALC=RELA unit=bohr                                                    
  8.549121 13.039110  9.773664 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.57200000 Z=0.85000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.42800000 Z=0.35000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     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=0.00000000 Y=0.23400000 Z=0.16800000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.76600000 Z=0.66800000
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
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=0.06300000 Z=0.66400000
          MULT= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.93700000 Z=0.16400000
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000