R040172 Tetragonal 1.541838 1.540562 1.544390 18.6551 1 0 1 2 28.7581 1 1 2 2 29.0760 1 0 3 2 31.4691 0 0 4 2 34.2088 2 0 0 2 39.2387 2 1 1 2 39.9584 1 1 4 2 43.3625 1 0 5 2 45.4827 1 2 3 2 47.1504 2 0 4 2 49.1458 2 2 0 2 53.0119 3 0 1 2 54.3473 1 1 6 2 56.3368 1 2 5 2 57.9268 3 1 2 2 59.5191 2 2 4 2 64.5901 3 2 1 2 65.6529 0 0 8 2 67.5664 3 0 5 2 69.1664 2 3 3 2 70.4834 1 2 7 2 72.0235 4 0 0 2 75.1457 1 4 1 2 77.6902 1 0 9 2 82.1776 4 2 0 2 86.1563 2 2 8 2