Diamond correctly displays the coordination of each gallium atom in this structure (space group Pna2₁):

• Ga1 has tetrahedral coordination,

• Ga2 has octahedral coordination,

• Ga3 has pentahedral coordination,

• Ga4 has tetrahedral coordination.

However, when I load the CIF file into AtomS, only Ga4 shows the correct coordination. The other three Ga atoms are all reported with coordination 6 instead of 4, 6, and 5, respectively.

Could you please advise on how to resolve this issue?

Thank you in advance for your help.

Best regards,

Iraida

PS: A similar problem occurs if the *.cif file is generated by the Vesta program.