H   LATTICE,NONEQUIV.ATOMS   7  156 P3m1                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.924507 10.924507  9.737759 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.38600000
          MULT= 1          ISPLIT= 4
Li         NPT=  781  R0=.000100000 RMT= 1.57        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.66666667 Y=0.33333333 Z=0.28000000
          MULT= 1          ISPLIT= 4
Y          NPT=  781  R0=.000010000 RMT= 2.08        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.14660000 Y=0.85340000 Z=0.75000000
          MULT= 3          ISPLIT= 8
      -3: X=0.14660000 Y=0.29320000 Z=0.75000000
      -3: X=0.70680000 Y=0.85340000 Z=0.75000000
Mo         NPT=  781  R0=.000010000 RMT= 1.83        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.50500000
          MULT= 1          ISPLIT= 4
O          NPT=  781  R0=.000100000 RMT= 1.65        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=0.33333333 Y=0.66666667 Z=0.00500000
          MULT= 1          ISPLIT= 4
O          NPT=  781  R0=.000100000 RMT= 1.65        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=0.50200000 Y=0.49800000 Z=0.53600000
          MULT= 3          ISPLIT= 8
      -6: X=0.50200000 Y=0.00400000 Z=0.53600000
      -6: X=0.99600000 Y=0.49800000 Z=0.53600000
O          NPT=  781  R0=.000100000 RMT= 1.65        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.83300000 Y=0.16700000 Z=0.93800000
          MULT= 3          ISPLIT= 8
      -7: X=0.83300000 Y=0.66600000 Z=0.93800000
      -7: X=0.33400000 Y=0.16700000 Z=0.93800000
O          NPT=  781  R0=.000100000 RMT= 1.65        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000