90 Mn_{12} Th & I4/mmm & D_{4h}^{17} & #139 & tI26 & D2_b Th 0.00000000 0.00000000 9.90000000 Mn 2.18500000 2.18500000 8.66250000 Mn 3.15514000 0.00000000 9.90000000 Mn 0.00000000 3.15514000 9.90000000 Mn 2.42098000 4.37000000 9.90000000 Mn 4.37000000 2.42098000 9.90000000 Mn 0.00000000 6.79098000 7.42500000 Mn 0.00000000 1.94902000 7.42500000 Th 0.00000000 8.74000000 9.90000000 Mn 3.15514000 8.74000000 9.90000000 Mn 0.00000000 5.58486000 9.90000000 Mn 4.37000000 6.31902000 9.90000000 Mn 6.79098000 0.00000000 7.42500000 Mn 1.94902000 0.00000000 7.42500000 Th 8.74000000 0.00000000 9.90000000 Mn 5.58486000 0.00000000 9.90000000 Mn 8.74000000 3.15514000 9.90000000 Mn 6.31902000 4.37000000 9.90000000 Th 0.00000000 0.00000000 4.95000000 Mn 2.18500000 2.18500000 6.18750000 Mn 2.18500000 2.18500000 3.71250000 Mn 3.15514000 0.00000000 4.95000000 Mn 0.00000000 3.15514000 4.95000000 Mn 2.42098000 4.37000000 4.95000000 Mn 4.37000000 2.42098000 4.95000000 Th 4.37000000 4.37000000 7.42500000 Mn 6.55500000 6.55500000 8.66250000 Mn 2.18500000 6.55500000 8.66250000 Mn 6.55500000 2.18500000 8.66250000 Mn 6.55500000 6.55500000 6.18750000 Mn 7.52514000 4.37000000 7.42500000 Mn 1.21486000 4.37000000 7.42500000 Mn 4.37000000 7.52514000 7.42500000 Mn 4.37000000 1.21486000 7.42500000 Mn 6.79098000 8.74000000 7.42500000 Mn 1.94902000 8.74000000 7.42500000 Mn 8.74000000 6.79098000 7.42500000 Mn 8.74000000 1.94902000 7.42500000 Th 8.74000000 8.74000000 9.90000000 Mn 5.58486000 8.74000000 9.90000000 Mn 8.74000000 5.58486000 9.90000000 Mn 0.00000000 6.79098000 2.47500000 Mn 0.00000000 1.94902000 2.47500000 Th 0.00000000 8.74000000 4.95000000 Mn 2.18500000 6.55500000 6.18750000 Mn 3.15514000 8.74000000 4.95000000 Mn 0.00000000 5.58486000 4.95000000 Mn 4.37000000 6.31902000 4.95000000 Mn 6.79098000 0.00000000 2.47500000 Mn 1.94902000 0.00000000 2.47500000 Th 8.74000000 0.00000000 4.95000000 Mn 6.55500000 2.18500000 6.18750000 Mn 5.58486000 0.00000000 4.95000000 Mn 8.74000000 3.15514000 4.95000000 Mn 6.31902000 4.37000000 4.95000000 Th 0.00000000 0.00000000 0.00000000 Mn 2.18500000 2.18500000 1.23750000 Mn 3.15514000 0.00000000 0.00000000 Mn 0.00000000 3.15514000 0.00000000 Mn 2.42098000 4.37000000 0.00000000 Mn 4.37000000 2.42098000 0.00000000 Th 4.37000000 4.37000000 2.47500000 Mn 6.55500000 6.55500000 3.71250000 Mn 2.18500000 6.55500000 3.71250000 Mn 6.55500000 2.18500000 3.71250000 Mn 6.55500000 6.55500000 1.23750000 Mn 7.52514000 4.37000000 2.47500000 Mn 1.21486000 4.37000000 2.47500000 Mn 4.37000000 7.52514000 2.47500000 Mn 4.37000000 1.21486000 2.47500000 Mn 6.79098000 8.74000000 2.47500000 Mn 1.94902000 8.74000000 2.47500000 Mn 8.74000000 6.79098000 2.47500000 Mn 8.74000000 1.94902000 2.47500000 Th 8.74000000 8.74000000 4.95000000 Mn 5.58486000 8.74000000 4.95000000 Mn 8.74000000 5.58486000 4.95000000 Th 0.00000000 8.74000000 0.00000000 Mn 2.18500000 6.55500000 1.23750000 Mn 3.15514000 8.74000000 0.00000000 Mn 0.00000000 5.58486000 0.00000000 Mn 4.37000000 6.31902000 0.00000000 Th 8.74000000 0.00000000 0.00000000 Mn 6.55500000 2.18500000 1.23750000 Mn 5.58486000 0.00000000 0.00000000 Mn 8.74000000 3.15514000 0.00000000 Mn 6.31902000 4.37000000 0.00000000 Th 8.74000000 8.74000000 0.00000000 Mn 5.58486000 8.74000000 0.00000000 Mn 8.74000000 5.58486000 0.00000000 **************************************** Primitive vectors a(1) = 8.74000000 0.00000000 0.00000000 a(2) = 0.00000000 8.74000000 0.00000000 a(3) = 4.37000000 4.37000000 2.47500000 Volume = 189.05931000 Reciprocal vectors b(1) = 0.11441648 0.00000000 -0.20202020 b(2) = 0.00000000 0.11441648 -0.20202020 b(3) = 0.00000000 0.00000000 0.40404040 Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates Th 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 Mn 0.00000000 0.00000000 0.50000000 2.18500000 2.18500000 1.23750000 Mn -0.50000000 0.00000000 0.50000000 -2.18500000 2.18500000 1.23750000 Mn 0.00000000 -0.50000000 0.50000000 2.18500000 -2.18500000 1.23750000 Mn 0.50000000 0.50000000 -0.50000000 2.18500000 2.18500000 -1.23750000 Mn 0.36100000 0.00000000 0.00000000 3.15514000 0.00000000 0.00000000 Mn -0.36100000 0.00000000 0.00000000 -3.15514000 0.00000000 0.00000000 Mn 0.00000000 0.36100000 0.00000000 0.00000000 3.15514000 0.00000000 Mn 0.00000000 -0.36100000 0.00000000 0.00000000 -3.15514000 0.00000000 Mn 0.27700000 0.50000000 0.00000000 2.42098000 4.37000000 0.00000000 Mn -0.27700000 0.50000000 0.00000000 -2.42098000 4.37000000 0.00000000 Mn 0.50000000 0.27700000 0.00000000 4.37000000 2.42098000 0.00000000 Mn 0.50000000 -0.27700000 0.00000000 4.37000000 -2.42098000 0.00000000