P   LATTICE,NONEQUIV.ATOMS   8   26 Pmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
  7.968975 27.229064 13.861141 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.64088000 Z=0.42909000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.35912000 Z=0.92909000
Hg         NPT=  781  R0=.000005000 RMT= 2.48        Z:  80.00000              
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=0.14896000 Z=0.26306000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.85104000 Z=0.76306000
Hg         NPT=  781  R0=.000005000 RMT= 2.48        Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.50000000 Y=0.39795000 Z=0.42720000
          MULT= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.60205000 Z=0.92720000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.50000000 Y=0.10900000 Z=0.75053000
          MULT= 2          ISPLIT= 8
      -4: X=0.50000000 Y=0.89100000 Z=0.25053000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.51640000 Z=0.20290000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.48360000 Z=0.70290000
S          NPT=  781  R0=.000100000 RMT= 1.93        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.23720000 Z=0.53190000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.76280000 Z=0.03190000
S          NPT=  781  R0=.000100000 RMT= 1.93        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.50000000 Y=0.27800000 Z=0.04010000
          MULT= 2          ISPLIT= 8
      -7: X=0.50000000 Y=0.72200000 Z=0.54010000
S          NPT=  781  R0=.000100000 RMT= 1.93        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -8: X=0.00000000 Y=0.03180000 Z=0.04100000
          MULT= 2          ISPLIT= 8
      -8: X=0.00000000 Y=0.96820000 Z=0.54100000
S          NPT=  781  R0=.000100000 RMT= 1.93        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000