merge and replace with PSI+site_ansto

tmp/rafin.dat

@@ -1,8 +1,21 @@
-HoNi2B2C
-  1  1  1 0  5. 10.0
-  0 1.1781
-  0  0.0  0  0.0 0  0.0  0 0.0
-0 3.51 0 3.51 0  10.53 0 90. 0 90. 0  90.
-2 0 0 39.57 67.165 180. 0.
-0 0 3 19.34 147.218 180. 0.
-0
+ 1/3 1/3 2 map 5K,  CuCrO2
+2 1 0 0 45 3 4 1 .5 0
+0  1.178
+0 .0 0 .0 0 .0
+0 2.9667 0 2.9667 0 17.3977 0 90 0 90 0 120
+   1.0000    1.0000    0.0000   46.742   23.322  182.960  178.382
+  -1.0000    2.0000    0.0000   46.740   23.244  182.601  238.437
+   0.0000    0.0000    6.0000   23.867   11.737   92.919   77.023
+   0.0000   -2.0000    1.0000   54.687   27.298  173.003   28.437
+   0.0000    1.0000    1.0000   26.807   13.375  175.101  208.398
+   1.0000    0.0000    2.0000   27.727   13.848  165.785  149.054
+   0.0000   -1.0000    5.0000   33.282   16.614  140.921   28.625
+   1.0000    0.0000    5.0000   33.270   16.627  145.492  150.046
+  -1.0000    1.0000    8.0000   41.915   20.725  131.535  265.171
+   1.0000    0.0000    8.0000   41.915   20.978  132.105  151.023
+   0.0000    2.0000    2.0000   55.172   27.515  174.425  208.367
+  -2.0000    0.0000    2.0000   55.177   27.515  170.078  328.031
+   3.0000    0.0000    0.0000   86.800   43.319  181.531  148.375
+   0.0000    3.0000    0.0000   86.802   43.319  182.796  208.429
+
+-1