coflandscaper.extract_atoms

coflandscaper.extract_atoms(lines)

Extract fractional atom sites from a CIF atom loop block.

Parameters:

lines (list[str]) – CIF file lines.

Returns:

List of tuples (Z, x, y, z) with atomic number and fractional coords.

Raises:

ValueError – If no supported fractional-coordinate atom loop is found.

Return type:

list[tuple[int, float, float, float]]