P   LATTICE,NONEQUIV.ATOMS   9   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 23.682048 18.795216 16.615984 90.000000 90.000000 90.750000                   
ATOM  -1: X=0.32827000 Y=0.02138000 Z=0.08422000
          MULT= 4          ISPLIT= 8
      -1: X=0.67173000 Y=0.97862000 Z=0.91578000
      -1: X=0.17173000 Y=0.47862000 Z=0.58422000
      -1: X=0.82827000 Y=0.52138000 Z=0.41578000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.32240000 Y=0.47965000 Z=0.09215000
          MULT= 4          ISPLIT= 8
      -2: X=0.67760000 Y=0.52035000 Z=0.90785000
      -2: X=0.17760000 Y=0.02035000 Z=0.59215000
      -2: X=0.82240000 Y=0.97965000 Z=0.40785000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.02337000 Y=0.75230000 Z=0.10195000
          MULT= 4          ISPLIT= 8
      -3: X=0.97663000 Y=0.24770000 Z=0.89805000
      -3: X=0.47663000 Y=0.74770000 Z=0.60195000
      -3: X=0.52337000 Y=0.25230000 Z=0.39805000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.09958000 Y=0.25762000 Z=0.31141000
          MULT= 4          ISPLIT= 8
      -4: X=0.90042000 Y=0.74238000 Z=0.68859000
      -4: X=0.40042000 Y=0.24238000 Z=0.81141000
      -4: X=0.59958000 Y=0.75762000 Z=0.18859000
Sn         NPT=  781  R0=.000010000 RMT= 2.43        Z:  50.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.05916000 Y=0.05960000 Z=0.17493000
          MULT= 4          ISPLIT= 8
      -5: X=0.94084000 Y=0.94040000 Z=0.82507000
      -5: X=0.44084000 Y=0.44040000 Z=0.67493000
      -5: X=0.55916000 Y=0.55960000 Z=0.32507000
S          NPT=  781  R0=.000100000 RMT= 1.99        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.28468000 Y=0.28135000 Z=0.37219000
          MULT= 4          ISPLIT= 8
      -6: X=0.71532000 Y=0.71865000 Z=0.62781000
      -6: X=0.21532000 Y=0.21865000 Z=0.87219000
      -6: X=0.78468000 Y=0.78135000 Z=0.12781000
S          NPT=  781  R0=.000100000 RMT= 1.99        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.06263000 Y=0.44648000 Z=0.15980000
          MULT= 4          ISPLIT= 8
      -7: X=0.93737000 Y=0.55352000 Z=0.84020000
      -7: X=0.43737000 Y=0.05352000 Z=0.65980000
      -7: X=0.56263000 Y=0.94648000 Z=0.34020000
S          NPT=  781  R0=.000100000 RMT= 1.99        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.00030000 Y=0.71744000 Z=0.46135000
          MULT= 4          ISPLIT= 8
      -8: X=0.99970000 Y=0.28256000 Z=0.53865000
      -8: X=0.49970000 Y=0.78256000 Z=0.96135000
      -8: X=0.50030000 Y=0.21744000 Z=0.03865000
S          NPT=  781  R0=.000100000 RMT= 1.99        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.27403000 Y=0.71635000 Z=0.32821000
          MULT= 4          ISPLIT= 8
      -9: X=0.72597000 Y=0.28365000 Z=0.67179000
      -9: X=0.22597000 Y=0.78365000 Z=0.82821000
      -9: X=0.77403000 Y=0.21635000 Z=0.17179000
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000