P   LATTICE,NONEQUIV.ATOMS   6  129 P4/nmm                                     
MODE OF CALC=RELA unit=bohr                                                    
  7.976156  7.976156 28.404096 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.85253000
          MULT= 2          ISPLIT=-2
      -1: X=0.75000000 Y=0.75000000 Z=0.14747000
Ba         NPT=  781  R0=.000010000 RMT= 2.40        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  -2: X=0.25000000 Y=0.25000000 Z=0.59469000
          MULT= 2          ISPLIT=-2
      -2: X=0.75000000 Y=0.75000000 Z=0.40531000
Ba         NPT=  781  R0=.000010000 RMT= 2.40        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=0.25000000 Y=0.25000000 Z=0.28595000
          MULT= 2          ISPLIT=-2
      -3: X=0.75000000 Y=0.75000000 Z=0.71405000
In         NPT=  781  R0=.000010000 RMT= 2.10        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.75000000 Y=0.25000000 Z=0.26223000
          MULT= 4          ISPLIT= 8
      -4: X=0.25000000 Y=0.75000000 Z=0.73777000
      -4: X=0.25000000 Y=0.75000000 Z=0.26223000
      -4: X=0.75000000 Y=0.25000000 Z=0.73777000
O          NPT=  781  R0=.000100000 RMT= 1.81        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.25000000 Y=0.25000000 Z=0.42455000
          MULT= 2          ISPLIT=-2
      -5: X=0.75000000 Y=0.75000000 Z=0.57545000
O          NPT=  781  R0=.000100000 RMT= 1.81        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.25000000 Y=0.25000000 Z=0.07409000
          MULT= 2          ISPLIT=-2
      -6: X=0.75000000 Y=0.75000000 Z=0.92591000
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