B   LATTICE,NONEQUIV.ATOMS   5  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 12.815178 12.815178 21.484674 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.00000000 Z=0.75000000
Sr         NPT=  781  R0=.000010000 RMT= 2.29        Z:  38.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.16740000 Y=0.66740000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.83260000 Y=0.33260000 Z=0.00000000
      -2: X=0.33260000 Y=0.16740000 Z=0.00000000
      -2: X=0.66740000 Y=0.83260000 Z=0.00000000
Sr         NPT=  781  R0=.000010000 RMT= 2.29        Z:  38.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -3: X=0.00000000 Y=0.50000000 Z=0.75000000
Ga         NPT=  781  R0=.000050000 RMT= 1.81        Z:  31.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -4: X=0.00000000 Y=0.00000000 Z=0.50000000
F          NPT=  781  R0=.000100000 RMT= 2.43        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.64580000 Y=0.14580000 Z=0.14500000
          MULT= 8          ISPLIT= 8
      -5: X=0.35420000 Y=0.85420000 Z=0.85500000
      -5: X=0.85420000 Y=0.64580000 Z=0.14500000
      -5: X=0.14580000 Y=0.35420000 Z=0.85500000
      -5: X=0.35420000 Y=0.85420000 Z=0.14500000
      -5: X=0.64580000 Y=0.14580000 Z=0.85500000
      -5: X=0.14580000 Y=0.35420000 Z=0.14500000
      -5: X=0.85420000 Y=0.64580000 Z=0.85500000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000