1CaAu2
2B   LATTICE,NONEQUIV.ATOMS:  274_Imma
3MODE OF CALC=RELA unit=ang
4  8.692744 13.388715 15.221750 90.000000 90.000000 90.000000
5ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.55010000
6          MULT= 2          ISPLIT= 8
7      -1: X=0.00000000 Y=0.75000000 Z=0.44990000
8Ca1        NPT=  781  R0=0.00005000 RMT=    2.3000   Z: 20.0
9LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
10                     0.0000000 1.0000000 0.0000000
11                     0.0000000 0.0000000 1.0000000
12ATOM  -2: X=0.00000000 Y=0.05010000 Z=0.17010000
13          MULT= 4          ISPLIT= 8
14      -2: X=0.00000000 Y=0.94990000 Z=0.82990000
15      -2: X=0.00000000 Y=0.55010000 Z=0.82990000
16      -2: X=0.00000000 Y=0.44990000 Z=0.17010000
17Au1        NPT=  781  R0=0.00000500 RMT=    2.3000   Z: 79.0
18LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
19                     1.0000000 0.0000000 0.0000000
20                     0.0000000 1.0000000 0.0000000
21   8      NUMBER OF SYMMETRY OPERATIONS
22 1 0 0 0.0000000
23 0-1 0 0.0000000
24 0 0-1 0.0000000
25       1
26-1 0 0 0.0000000
27 0-1 0 0.0000000
28 0 0-1 0.0000000
29       2
30 1 0 0 0.0000000
31 0 1 0 0.0000000
32 0 0 1 0.0000000
33       3
34-1 0 0 0.0000000
35 0 1 0 0.0000000
36 0 0 1 0.0000000
37       4
38 1 0 0 0.0000000
39 0-1 0 0.5000000
40 0 0 1 0.0000000
41       5
42-1 0 0 0.5000000
43 0 1 0 0.0000000
44 0 0-1 0.5000000
45       6
46-1 0 0 0.0000000
47 0-1 0 0.5000000
48 0 0 1 0.0000000
49       7
50 1 0 0 0.5000000
51 0 1 0 0.0000000
52 0 0-1 0.5000000
53       8
54