Perovskite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from single crystal data of R110178
      Liu X, Liebermann R C
      Physics and Chemistry of Minerals 20 (1993) 171-175
      X-ray powder diffraction study of CaTiO3 perovskite
      at high temperatures
      Sample: T = 1373 K
      _database_code_amcsd 0007758

      CELL PARAMETERS:   5.4760  5.4840  7.7480   90.000   90.000   90.000
      SPACE GROUP: Pbnm      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Ca     1.00000   0.01280   0.25000     1.000     3.100
            Ti     0.00000   0.50000   0.00000     1.000     2.600
            O      0.04930   0.49490   0.25000     1.000    -1.000
            O      0.72200   0.28070   0.02540     1.000     3.400

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  5 +/-  5 +/-  7
            MAX. ABS. INTENSITY / VOLUME**2:      26.53528808    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                22.95         14.43        3.8749    1   1   0
                22.96          5.70        3.8740    0   0   2
                32.66         30.61        2.7420    0   2   0
                32.69        100.00        2.7397    1   1   2
                32.71         27.86        2.7380    2   0   0
                38.51          1.30        2.3376    1   2   1
                38.54          2.43        2.3359    1   0   3
                38.54          1.59        2.3357    2   1   1
                40.30          8.13        2.2381    0   2   2
                40.34          7.05        2.2359    2   0   2
                46.89         48.60        1.9375    2   2   0
                46.91         25.13        1.9370    0   0   4
                52.80          1.62        1.7339    1   3   0
                52.84          2.36        1.7326    1   1   4
                58.30         11.34        1.5826    1   3   2
                58.32          9.11        1.5821    0   2   4
                58.36          8.37        1.5813    2   0   4
                58.36         14.14        1.5811    3   1   2
                68.43          4.47        1.3710    0   4   0
                68.50         16.99        1.3698    2   2   4
                68.54          3.65        1.3690    4   0   0
                77.93          2.51        1.2259    2   4   0
                77.97          2.73        1.2253    3   3   2
                77.99          2.57        1.2251    1   1   6
                78.01          1.93        1.2248    4   2   0
                87.09          3.02        1.1191    0   4   4
                87.19          2.33        1.1180    4   0   4
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.