21 Mo Ni_4 & I4/m-C_{2h}^5 #87 & tI10 & D1_a & Pearson's Handbook Vol. IV Mo 0.00000000 0.00000000 3.56400000 Ni 1.14400000 2.28800000 3.56400000 Mo 0.00000000 5.72000000 3.56400000 Ni 2.28800000 4.57600000 3.56400000 Mo 5.72000000 0.00000000 3.56400000 Ni 3.43200000 1.14400000 3.56400000 Mo 0.00000000 0.00000000 0.00000000 Ni 1.14400000 2.28800000 0.00000000 Mo 2.86000000 2.86000000 1.78200000 Ni 4.00400000 5.14800000 1.78200000 Ni 0.57200000 4.00400000 1.78200000 Ni 1.71600000 0.57200000 1.78200000 Ni 5.14800000 1.71600000 1.78200000 Mo 5.72000000 5.72000000 3.56400000 Ni 4.57600000 3.43200000 3.56400000 Mo 0.00000000 5.72000000 0.00000000 Ni 2.28800000 4.57600000 0.00000000 Mo 5.72000000 0.00000000 0.00000000 Ni 3.43200000 1.14400000 0.00000000 Mo 5.72000000 5.72000000 0.00000000 Ni 4.57600000 3.43200000 0.00000000 **************************************** Primitive vectors a(1) = 5.72000000 0.00000000 0.00000000 a(2) = 0.00000000 5.72000000 0.00000000 a(3) = 2.86000000 2.86000000 1.78200000 Volume = 58.30418880 Reciprocal vectors b(1) = 0.17482517 0.00000000 -0.28058361 b(2) = 0.00000000 0.17482517 -0.28058361 b(3) = 0.00000000 0.00000000 0.56116723 Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates Mo 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 Ni 0.20000000 0.40000000 0.00000000 1.14400000 2.28800000 0.00000000 Ni -0.40000000 0.20000000 0.00000000 -2.28800000 1.14400000 0.00000000 Ni -0.20000000 -0.40000000 0.00000000 -1.14400000 -2.28800000 0.00000000 Ni 0.40000000 -0.20000000 0.00000000 2.28800000 -1.14400000 0.00000000