Table is the result for the cubic phase of Na 3 PS 4 (mp-985584: Its synthesis was reported in ). The space group I 43m was found as the second scored. The first scored I 42m and the third scored P 4 2 mc are both tetragonal with their point groups of C 4v and D 2d . The space group P 4 2 mc is considered familiar with P 42 1 c, which is also the space group of the tetragonal phase of Na 3 PS 4 (mp-28782). Both space groups are attributed to the same Laue class. They share a certain kind of similar crystal structure despite their different ionic conductivities : Grasping functional difference is beyond the expected ability of CLICS. The first and third scored local atomic environments were retrieved correctly. The second scored one is partly correct since the trigonal pyramids is a kind of polyhedra. The fifth scored one was not found in the structure.