CXZ LATTICE,NONEQUIV.ATOMS   5   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.909150 20.989755 10.208867 90.000000 90.000000 67.930000                   
ATOM  -1: X=0.89830000 Y=0.39220000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.10170000 Y=0.60780000 Z=0.00000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.24650000 Y=0.16510000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.75350000 Y=0.83490000 Z=0.00000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.54394000 Y=0.17456000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.45606000 Y=0.82544000 Z=0.00000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.60670000 Y=0.39049000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.39330000 Y=0.60951000 Z=0.00000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000