We generated a crystal structure dataset and released it on Hugging Face Hub (). Each data entry includes metadata with the structure MP id, description, transformation, code with and without comments, and the CIF with the result of the code execution. The overall dataset comprises 111,615 documents with a 64:16:20 train-validationtest split (80:20 train-test, then the train was further split 80:20 for train-validation). Note that the train-validation-test split was performed based on structures (by MP id) before proceeding with transformation operations and description generation to avoid data leakage.