H   LATTICE,NONEQUIV.ATOMS   4  152 P3121                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.244540  9.244540 20.790767 90.000000 90.000000120.000000                   
ATOM  -1: X=0.42140000 Y=0.24580000 Z=0.37424000
          MULT= 6          ISPLIT= 8
      -1: X=0.75420000 Y=0.17560000 Z=0.70757333
      -1: X=0.24580000 Y=0.42140000 Z=0.62576000
      -1: X=0.82440000 Y=0.57860000 Z=0.04090667
      -1: X=0.57860000 Y=0.82440000 Z=0.95909333
      -1: X=0.17560000 Y=0.75420000 Z=0.29242667
F          NPT=  781  R0=.000100000 RMT= 1.43        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  -2: X=0.32150000 Y=0.42600000 Z=0.09484000
          MULT= 6          ISPLIT= 8
      -2: X=0.57400000 Y=0.89550000 Z=0.42817333
      -2: X=0.42600000 Y=0.32150000 Z=0.90516000
      -2: X=0.10450000 Y=0.67850000 Z=0.76150667
      -2: X=0.67850000 Y=0.10450000 Z=0.23849333
      -2: X=0.89550000 Y=0.57400000 Z=0.57182667
F          NPT=  781  R0=.000100000 RMT= 1.43        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  -3: X=0.46160000 Y=0.00000000 Z=0.33333333
          MULT= 3          ISPLIT= 8
      -3: X=0.00000000 Y=0.46160000 Z=0.66666666
      -3: X=0.53840000 Y=0.53840000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT= 1.17        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.46220000 Y=0.00000000 Z=0.83333333
          MULT= 3          ISPLIT= 8
      -4: X=0.00000000 Y=0.46220000 Z=0.16666666
      -4: X=0.53780000 Y=0.53780000 Z=0.50000000
Li         NPT=  781  R0=.000100000 RMT= 1.52        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000