Complete the bundled space-group database#187
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AndrewSazonov
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## develop #187 +/- ##
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+ Coverage 86.01% 86.02% +0.01%
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Files 258 258
Lines 21631 21651 +20
Branches 2518 2518
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+ Hits 18606 18626 +20
- Misses 2071 2072 +1
+ Partials 954 953 -1
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EasyDiffraction's bundled space-group table was missing 42 common space groups entirely — including P4, P3, P6, and Pm-3 — plus many alternative monoclinic settings, so symmetry constraints and Wyckoff information silently did nothing for structures in those groups. This change rebuilds the database from curated cryspy and cctbx/sgtbx source data, covering all 230 groups, their standard settings, and every public coordinate-code alias with full symmetry information. The seed data is cross-checked against several independent references and keeps flagged rows visible for later International Tables verification. The data now ships as transparent, inspectable JSON instead of an opaque binary pickle. Existing projects load unchanged; structures in the previously-missing groups now get correct symmetry handling.