v0.6.0

v0.6.0 - 2026-06-09

Added

• Spacegroup symop lookup when a table of translation operators is not provided (#160)
• New rational parsing mode based on fractions.Fraction (#161)
• Support for loop_ data entries containing unescaped quotes (#162)
• Improved performance when parsing well-structured CIF files (#222)
• Configurable toggle for "snapping" near-fractional Wyckoff positions to exact ratios.
  This improves the parsing accuracy for structures with incorrectly or inconsistently
  rounded fractions (#223, #230)
• Improved performance when using the python_float parse mode (#224)

Changed

• parse_mode='rational' is now the default setting in build_unit_cell (#161)
• n_decimal_places=3 is now the default setting in build_unit_cell (#161)
• The default centering is now preferred when symmetry operations are looked up from
  an underspecified space-group representation (#226)
• Handling of certain types of delimited data entries that contain the delimiter
  themselves. This increases accuracy in a small percent of COD files (#228)
• Site deduplication is now performed solely in fractional space where the rounding
  tolerance directly maps to stored coordinates (#229)

Fixed

- Missing cell data now raises an error when attempting to ``build_unit_cell`` (#227)

### Deprecated

- `parse_mode='sympy'` is now deprecated in favor of `rational` (#161)