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CHARGE=-3 PULAY PM7 Nb(V)S4(3-) (JUMNAG) H=66.8 HR=PW91D Nb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 S 2.33227505 +1 0.0000000 +0 0.0000000 +0 1 0 0 S 2.33221219 +1 109.4618413 +1 0.0000000 +0 1 2 0 S 2.33214018 +1 109.4502356 +1 119.9640465 +1 1 2 3 S 2.33232645 +1 109.5096153 +1 120.0228825 +1 1 2 4