P   LATTICE,NONEQUIV.ATOMS   4  127 P4/mbm                                     
MODE OF CALC=RELA unit=bohr                                                    
 13.414977 13.414977  7.814584 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.18116000 Y=0.68116000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -1: X=0.81884000 Y=0.31884000 Z=0.50000000
      -1: X=0.31884000 Y=0.18116000 Z=0.50000000
      -1: X=0.68116000 Y=0.81884000 Z=0.50000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.03520000 Y=0.17800000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -2: X=0.96480000 Y=0.82200000 Z=0.00000000
      -2: X=0.82200000 Y=0.03520000 Z=0.00000000
      -2: X=0.17800000 Y=0.96480000 Z=0.00000000
      -2: X=0.46480000 Y=0.67800000 Z=0.00000000
      -2: X=0.53520000 Y=0.32200000 Z=0.00000000
      -2: X=0.32200000 Y=0.46480000 Z=0.00000000
      -2: X=0.67800000 Y=0.53520000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT= 1.57        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.58320000 Y=0.08320000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.41680000 Y=0.91680000 Z=0.00000000
      -3: X=0.91680000 Y=0.58320000 Z=0.00000000
      -3: X=0.08320000 Y=0.41680000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT= 1.57        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.29480000
          MULT= 4          ISPLIT=-2
      -4: X=0.00000000 Y=0.00000000 Z=0.70520000
      -4: X=0.50000000 Y=0.50000000 Z=0.29480000
      -4: X=0.50000000 Y=0.50000000 Z=0.70520000
B          NPT=  781  R0=.000100000 RMT= 1.57        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000