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CHARGE=-3 SYMMETRY SHIFT=10 PM7 Yttrium(III) hexabromide <Y-Br> GR=PW91D Y 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Br 2.92200000 +1 0.0000000 +0 0.0000000 +0 1 0 0 Br 2.92200000 +1 90.0000000 +1 0.0000000 +0 1 2 0 Br 2.92200000 +1 90.0000000 +1 90.0000000 +1 1 2 3 Br 2.92200000 +1 90.0000000 +1 180.0000000 +1 1 2 3 Br 2.92200000 +1 90.0000000 +1 -90.0000000 +1 1 2 3 Br 2.92200000 +1 180.0000000 +1 0.0000000 +1 1 2 3