Rutile
Diffraction data computed using the structure from the paper listed below, 
along with the cell parameters refined from the powder pattern of R040049
      Swope R J, Smyth J R, Larson A C
      American Mineralogist 80 (1995) 448-453
      H in rutile-type compounds: I. Single-crystal neutron and X-ray diffraction
      study of H in rutile
      Sample: X-ray; natural, T = 300 K

      CELL PARAMETERS:   4.5955  4.5955  2.9598   90.000   90.000   90.000
      SPACE GROUP: P4_2/mnm  

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Ti     0.00000   0.00000   0.00000     0.910     0.497
            Al     0.00000   0.00000   0.00000     0.080     0.497
            Nb     0.00000   0.00000   0.00000     0.010     0.497
            Cr     0.00000   0.00000   0.00000     0.010     0.497
            O      0.30495   0.30495   0.00000     1.000     0.416

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  4 +/-  4 +/-  2
            MAX. ABS. INTENSITY / VOLUME**2:      45.94761507    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                27.45        100.00        3.2495    1   1   0
                36.10         44.70        2.4884    1   0   1
                39.21          6.43        2.2977    2   0   0
                41.26         19.12        2.1882    1   1   1
                44.06          6.84        2.0552    2   1   0
                54.35         55.51        1.6881    2   1   1
                56.65         16.60        1.6248    2   2   0
                62.79          7.86        1.4799    0   0   2
                64.08          7.75        1.4532    3   1   0
                69.04         19.69        1.3604    3   0   1
                69.84          9.53        1.3468    1   1   2
                72.45          1.12        1.3045    3   1   1
                76.58          1.96        1.2442    2   0   2
                79.87          1.19        1.2009    2   1   2
                82.38          3.93        1.1706    3   2   1
                84.29          2.78        1.1489    4   0   0
                87.53          1.04        1.1146    4   1   0
                89.60          6.81        1.0941    2   2   2
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       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.