While creating heusler alloys using VESTA it shows 31 atoms , but when i use its CIF to create scf file using BURAI software it shows 12 atoms. Why?

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Abhijit Nayak

BURAI may be showing only the non-equivalent atom positions but VESTA will be showing all the atoms.

Tasso Yattung

so will it be relevant to take the (BURAI) atomic position for further calculations?

yes, phenomenologically they are same, but some times when doing magnetic calculations when we want to do calculation for different spin structure calculations more number of atomic sites becomes useful.