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Atoms make up molecules. For example, you could have one molecule of water which is made up of 3 atoms ( 2 hydrogen and 1 oxygen). To calculate the number of moles you would take the amount of grams of the element divided by the molar mass of the element.
A mole is 6.022 x 10^23 units of something, whether it be particles, atoms, molecules, etc. So, for example, there should be 6.022 x 10^23 separate water molecules in one mole of H20. The characteristic that differentiates moles of different particles would be their mass.
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