Lattice parameters and atomic positions of new phases (P2₁/m and Cmma).

Space group	Pressure/GPa	Lattice parameters	Atomic coordinates (fractional)
P21/m	80	a = 2.8292 Å, b = 4.3915 Å, c = 4.4496 Å, α = γ = 90°, β = 90.1756°	H1 0.71576 0.44039 0.21126
			H2 0.71855 0.75000 0.97815
			H3 0.70044 0.75000 0.60091
			N1 0.50244 0.25000 0.20585
			Cl1 0.08653 0.75000 0.29497
Cmma	120	a = 5.2907 Å, b = 7.0193 Å, c = 2.6471 Å, α = β = γ = 90°	H1 0.35533 0.58784 0.77272
			N1 0.25000 0.50000 −0.00000
			Cl1 0.00000 0.25000 0.39036