R   LATTICE,NONEQUIV.ATOMS   3  160 R3m                                        
MODE OF CALC=RELA unit=bohr                                                    
  6.391054  6.391054 36.622890 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.24600000 Y=0.24600000 Z=0.24600000
          MULT= 1          ISPLIT= 4
Cl         NPT=  781  R0=.000100000 RMT= 2.31        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.42100000 Y=0.42100000 Z=0.42100000
          MULT= 1          ISPLIT= 4
Cl         NPT=  781  R0=.000100000 RMT= 2.31        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000