P4 1
From NWChem
group number = 76 group name = P4_1 crystal system = Tetragonal setting number = 1 number of symmetry operators = 4 +x,+y,+z -x,-y,+z+1/2 -y,+x,+z+1/4 +y,-x,+z+3/4 = operator 1 = 1.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 1.0 0.0 = operator 2 = -1.0 0.0 0.0 0.0 0.0 -1.0 0.0 0.0 0.0 0.0 1.0 0.5 = operator 3 = 0.0 -1.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 1.0 0.25 = operator 4 = 0.0 1.0 0.0 0.0 -1.0 0.0 0.0 0.0 0.0 0.0 1.0 0.75