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CHARGE=-1 PM7 Tl(III)Br4(-) (CAFSUX) <Tl-Br> GR=CCDC Tl 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Br 2.57659200 +1 0.0000000 +0 0.0000000 +0 1 0 0 Br 2.56003295 +1 109.8216019 +1 0.0000000 +0 1 2 0 Br 2.56003228 +1 109.7858499 +1 -120.0816297 +1 1 2 3 Br 2.56004057 +1 109.7221968 +1 -119.9496813 +1 1 2 4