BATH 10

PSEUDO 4

CENTER Ir

X_AXIS O

Y_AXIS O

OUTPUT example

PATTERN 1 Ir 6 O

NPATTERN 1

LATTICE
a 5.48463
b 5.48463
c 25.7977
alpha 90
beta 90
gamma 90

ATOMS Ir 4 6 2.2 Sr 2 9 3.1 O -2 6 3.1

SYMOP
x,y,z
1/2+x,1/2+y,1/2+z
-y,1/2-x,3/4+z
1/2-y,-x,1/4+z
1/2+y,1/2+x,-z
+y,+x,1/2-z
1/2+y,1/2-x,1/2-z
+y,-x,-z
-y,1/2+x,1/4+z
1/2-y,+x,3/4+z
1/2+x,1/2-y,z
+x,-y,1/2+z
1/2-x,y,1/4-z
-x,1/2+y,3/4-z
1/2+x,y,3/4-z
+x,1/2+y,1/4-z
1/2-x,1/2-y,1/2+z
-x,-y,+z
1/2+y,x,1/4+z
+y,1/2+x,3/4+z
-y,-x,1/2-z
1/2-y,1/2-x,-z
-y,x,-z
1/2-y,1/2+x,1/2-z
1/2+y,-x,3/4+z
+y,1/2-x,1/4+z
-x,y,1/2+z
1/2-x,1/2+y,+z
x,1/2-y,3/4-z
1/2+x,-y,1/4-z
-x,1/2-y,1/4-z
1/2-x,-y,3/4-z
POMYS

GENERATOR
Sr    0.00000   0.00000   0.17573
Ir    0.00000   0.00000   0.00000
O     0.19810   0.19810   0.25000
O     0.00000   0.00000   0.07974
ROTARENEG


EVJEN

SYMETRY C2z

SEEFRAG

NOCOLOR

END_OF_INPUT