##### Number of group elements ##### ##### and atoms in unit cell. ##### 8 5 ##### ir-ig group correspondance ##### ##### ir and ig ##### 1 1 2 4 3 14 4 15 5 25 6 28 7 38 8 39 ##### Rotation of atom positions ##### ##### ir, atom pre/post rot, x,y,z ##### 1 1 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 1 2 2 0.0000000000E+00 -0.5551115123E-16 -0.1110223025E-15 1 3 3 -0.5551115123E-16 0.0000000000E+00 -0.1110223025E-15 1 4 4 0.0000000000E+00 0.0000000000E+00 -0.4440892099E-15 1 5 5 0.0000000000E+00 0.0000000000E+00 -0.2220446049E-15 2 1 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 2 2 2 0.6123233996E-16 -0.1000000000E+01 -0.1110223025E-15 2 3 3 -0.1000000000E+01 -0.6123233996E-16 -0.1110223025E-15 2 4 4 0.0000000000E+00 0.0000000000E+00 -0.4440892099E-15 2 5 5 0.0000000000E+00 0.0000000000E+00 -0.2220446049E-15 3 1 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 3 2 3 -0.1000000000E+01 0.5237222008E-14 -0.1110223025E-15 3 3 2 0.5237222008E-14 -0.5551115123E-16 -0.1110223025E-15 3 4 4 0.0000000000E+00 0.0000000000E+00 -0.4440892099E-15 3 5 5 0.0000000000E+00 0.0000000000E+00 -0.2220446049E-15 4 1 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 4 2 3 -0.5551115123E-16 -0.1745740669E-14 -0.1110223025E-15 4 3 2 -0.1745740669E-14 -0.1000000000E+01 -0.1110223025E-15 4 4 4 0.0000000000E+00 0.0000000000E+00 -0.4440892099E-15 4 5 5 0.0000000000E+00 0.0000000000E+00 -0.2220446049E-15 5 1 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 5 2 3 -0.5000000000E+00 -0.5000000000E+00 -0.1227055000E+01 5 3 2 -0.5000000000E+00 -0.5000000000E+00 -0.1227055000E+01 5 4 5 0.0000000000E+00 0.0000000000E+00 -0.2454110000E+01 5 5 4 0.0000000000E+00 0.0000000000E+00 -0.2454110000E+01 6 1 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 6 2 3 -0.5000000000E+00 0.5000000000E+00 -0.1227055000E+01 6 3 2 0.5000000000E+00 -0.5000000000E+00 -0.1227055000E+01 6 4 5 0.0000000000E+00 0.0000000000E+00 -0.2454110000E+01 6 5 4 0.0000000000E+00 0.0000000000E+00 -0.2454110000E+01 7 1 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 7 2 2 0.5000000000E+00 -0.5000000000E+00 -0.1227055000E+01 7 3 3 -0.5000000000E+00 -0.5000000000E+00 -0.1227055000E+01 7 4 5 0.0000000000E+00 0.0000000000E+00 -0.2454110000E+01 7 5 4 0.0000000000E+00 0.0000000000E+00 -0.2454110000E+01 8 1 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 8 2 2 -0.5000000000E+00 -0.5000000000E+00 -0.1227055000E+01 8 3 3 -0.5000000000E+00 0.5000000000E+00 -0.1227055000E+01 8 4 5 0.0000000000E+00 0.0000000000E+00 -0.2454110000E+01 8 5 4 0.0000000000E+00 0.0000000000E+00 -0.2454110000E+01 8 (1.00000000000000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (1.00000000000000,0.000000000000000E+000) (6.123233995736766E-017,-1.00000000000000) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (6.123233995736766E-017,1.00000000000000) (-0.707106781186551,-0.707106781186544) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (-0.707106781186551,0.707106781186544) (0.707106781186546,-0.707106781186549) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (0.707106781186546,0.707106781186549) (0.000000000000000E+000,1.00000000000000) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,1.00000000000000) (1.00000000000000,6.123233995736766E-017) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (-1.00000000000000,6.123233995736766E-017) (0.707106781186544,-0.707106781186551) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (-0.707106781186544,-0.707106781186551) (0.707106781186549,0.707106781186546) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (-0.707106781186549,0.707106781186546)