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## Database generation for magnetic space group
### File description
Table data
- `magnetic_hall_symbols.yaml` List of Magnetic Hall symbols
- `msg_numbers.csb` conversion between BNS, OG, UNI, and Litvin numbers
Database generation scripts
- `make_hall_mapping.py`
- `int magnetic_spacegroup_uni_mapping[][2]` and `int magnetic_spacegroup_hall_mapping[][2]`
- `make_mhall_db.py`
- `int magnetic_symmetry_operations[]` and `int magnetic_spacegroup_operation_index[][18][2]`
- `make_msgtype_db.py`
- `MagneticSpacegroupType magnetic_spacegroup_types[]`
- `make_alternative_settings.py`
- `python make_alternative_settings.py` pre-computes transformations to standard descriptions and save results in conjugators.json
- `python make_alternative_settings.py --dump` prints `int alternative_transformations[][18][7]` by reading conjugators.json
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