Space group symbol: Convention: Default International Tables for Crystallography, Volume A 1983 International Tables for Crystallography, Volume I 1952 Hall symbol
Minimum d-spacing:
Minimum distance between symmetrically equivalent sites: Atoms that have symmetrically equivalent sites within the given radius will be moved to the exact site of the nearest special position.
Structure factor algorithm: Automatic choice Direct Summation FFT Approximation
Coordinates:
Fractional Cartesian
Format: Label [ScatFact] x y z [Occ [Biso]] Examples: Si 0.123 0.456 0.789 1.0 3.0 Si Si4+ 0.123 0.456 0.789 1.0 3.0