6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.1028 0.2583089 1.436622 1 0.05420747 1.282802 2.764068 1 0.3917807 2.567162 0.7355983 1 2.495357 1.268739 0.08693225 1 2.96001 0.2024969 2.578704 1 2.541972 2.542294 2.28683