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 symmetry mates: Atoms that have symmetry mates within the given radius will be moved to the exact location of the nearest special position.
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