4 atoms Coords 1 0.00 0.00 0.00 2 1.00 0.00 0.00 3 -0.50 0.86 0.00 4 -0.50 -0.86 0.00 Types 1 1 2 2 3 2 4 2 Charges 1 0 2 0 3 0 4 0