##### Number of group elements ##### ##### and atoms in unit cell. ##### 6 12 ##### ir-ig group correspondance ##### ##### ir and ig ##### 1 1 2 3 3 5 4 13 5 15 6 17 ##### 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 -0.1110223025E-15 0.1110223025E-15 -0.1110223025E-15 1 3 3 0.0000000000E+00 0.0000000000E+00 -0.2220446049E-15 1 4 4 -0.1110223025E-15 0.2220446049E-15 0.2775557562E-16 1 5 5 -0.5551115123E-16 0.5551115123E-16 -0.5551115123E-16 1 6 6 -0.5551115123E-16 0.1110223025E-15 -0.2220446049E-15 1 7 7 -0.1110223025E-15 0.1110223025E-15 -0.2220446049E-15 1 8 8 0.2775557562E-16 0.1665334537E-15 -0.2775557562E-16 1 9 9 -0.5551115123E-16 0.2775557562E-16 -0.2775557562E-16 1 10 10 -0.1387778781E-16 0.2775557562E-16 0.0000000000E+00 1 11 11 -0.5551115123E-16 0.1110223025E-15 -0.2775557562E-16 1 12 12 -0.1387778781E-16 0.1110223025E-15 -0.1110223025E-15 2 1 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 2 2 2 -0.1732050794E+01 0.1000000008E+01 -0.1110223025E-15 2 3 3 0.0000000000E+00 0.0000000000E+00 -0.2220446049E-15 2 4 4 -0.1732050794E+01 0.1000000008E+01 0.2775557562E-16 2 5 5 -0.8660253969E+00 0.5000000040E+00 -0.5551115123E-16 2 6 6 -0.8660253969E+00 0.5000000040E+00 -0.2220446049E-15 2 7 12 -0.8660253969E+00 0.5000000025E+00 -0.2220446049E-15 2 8 9 -0.8660253969E+00 0.5000000055E+00 -0.2775557562E-16 2 9 11 -0.8660253982E+00 0.5000000032E+00 -0.2775557562E-16 2 10 7 -0.8660253982E+00 0.5000000047E+00 0.0000000000E+00 2 11 8 -0.8660253956E+00 0.5000000032E+00 -0.2775557562E-16 2 12 10 -0.8660253956E+00 0.5000000047E+00 -0.1110223025E-15 3 1 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 3 2 2 0.1378444792E-07 0.1999999992E+01 -0.1110223025E-15 3 3 3 0.0000000000E+00 0.0000000000E+00 -0.2220446049E-15 3 4 4 0.1378444781E-07 0.1999999992E+01 0.2775557562E-16 3 5 5 0.6892223958E-08 0.9999999960E+00 -0.5551115123E-16 3 6 6 0.6892223903E-08 0.9999999960E+00 -0.2220446049E-15 3 7 10 0.6892226831E-08 0.9999999975E+00 -0.2220446049E-15 3 8 11 0.6892220961E-08 0.9999999945E+00 -0.2775557562E-16 3 9 8 0.8209586871E-08 0.9999999968E+00 -0.2775557562E-16 3 10 12 0.8209583957E-08 0.9999999953E+00 0.0000000000E+00 3 11 9 0.5574863848E-08 0.9999999968E+00 -0.2775557562E-16 3 12 7 0.5574860906E-08 0.9999999953E+00 -0.1110223025E-15 4 1 2 -0.1110223025E-15 0.1110223025E-15 -0.1110223025E-15 4 2 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 4 3 4 -0.1110223025E-15 0.1110223025E-15 0.5551115123E-16 4 4 3 0.0000000000E+00 -0.1110223025E-15 -0.2220446049E-15 4 5 5 -0.5551115123E-16 0.5551115123E-16 -0.5551115123E-16 4 6 6 -0.5551115123E-16 0.0000000000E+00 -0.1557180000E+01 4 7 8 0.0000000000E+00 0.0000000000E+00 0.1110223025E-15 4 8 7 -0.1110223025E-15 0.0000000000E+00 -0.1110223025E-15 4 9 12 -0.5551115123E-16 0.1110223025E-15 -0.1110223025E-15 4 10 11 -0.1110223025E-15 0.1110223025E-15 -0.1110223025E-15 4 11 10 -0.5551115123E-16 0.0000000000E+00 -0.1110223025E-15 4 12 9 -0.1110223025E-15 0.0000000000E+00 0.0000000000E+00 5 1 2 -0.1732050794E+01 0.1000000008E+01 -0.1110223025E-15 5 2 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 5 3 4 -0.1732050794E+01 0.1000000008E+01 0.5551115123E-16 5 4 3 0.2220446049E-15 -0.1424393103E-16 -0.2220446049E-15 5 5 5 -0.8660253969E+00 0.5000000040E+00 -0.5551115123E-16 5 6 6 -0.8660253969E+00 0.5000000040E+00 -0.1557180000E+01 5 7 9 -0.8660253969E+00 0.5000000055E+00 0.1110223025E-15 5 8 12 -0.8660253969E+00 0.5000000025E+00 -0.1110223025E-15 5 9 10 -0.8660253956E+00 0.5000000047E+00 -0.1110223025E-15 5 10 8 -0.8660253956E+00 0.5000000032E+00 -0.1110223025E-15 5 11 7 -0.8660253982E+00 0.5000000047E+00 -0.1110223025E-15 5 12 11 -0.8660253982E+00 0.5000000032E+00 0.0000000000E+00 6 1 2 0.1378444792E-07 0.1999999992E+01 -0.1110223025E-15 6 2 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 6 3 4 0.1378444792E-07 0.1999999992E+01 0.5551115123E-16 6 4 3 0.1110223025E-15 0.0000000000E+00 -0.2220446049E-15 6 5 5 0.6892223958E-08 0.9999999960E+00 -0.5551115123E-16 6 6 6 0.6892224014E-08 0.9999999960E+00 -0.1557180000E+01 6 7 11 0.6892221072E-08 0.9999999945E+00 0.1110223025E-15 6 8 10 0.6892226956E-08 0.9999999975E+00 -0.1110223025E-15 6 9 7 0.5574861017E-08 0.9999999953E+00 -0.1110223025E-15 6 10 9 0.5574863959E-08 0.9999999968E+00 -0.1110223025E-15 6 11 12 0.8209584068E-08 0.9999999953E+00 -0.1110223025E-15 6 12 8 0.8209587010E-08 0.9999999968E+00 0.0000000000E+00 6 (1.00000000000000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (1.00000000000000,0.000000000000000E+000) (0.499999999999998,-0.866025403784440) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (0.499999999999998,0.866025403784440) (-0.500000000000004,-0.866025403784436) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (-0.500000000000004,0.866025403784436) (0.000000000000000E+000,1.00000000000000) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,1.00000000000000) (0.866025403784440,0.499999999999998) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (-0.866025403784440,0.499999999999998) (0.866025403784436,-0.500000000000004) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (-0.866025403784436,-0.500000000000004)