Kesterite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from the powder pattern for R120098
      Hall S R, Szymanski J T, Stewart J M
      The Canadian Mineralogist 16 (1978) 131-137
      Kesterite, Cu2(Zn,Fe)SnS4, and stannite, Cu2(Fe,Zn)SnS4,
      structurally similar but distinct minerals
      _database_code_amcsd 0005151

      CELL PARAMETERS:   5.4400  5.4400 10.8720   90.000   90.000   90.000
      SPACE GROUP: I-4       

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Cu     0.00000   0.00000   0.00000     1.000     1.474
            Sn     0.50000   0.50000   0.00000     1.000     0.650
            Cu     0.00000   0.50000   0.25000     1.000     1.290
            Zn     0.50000   0.00000   0.25000     0.710     1.171
            Fe     0.50000   0.00000   0.25000     0.280     1.171
            Cd     0.50000   0.00000   0.25000     0.010     1.171
            S      0.75600   0.75660   0.87220     1.000     0.845

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  4 +/-  4 +/-  9
            MAX. ABS. INTENSITY / VOLUME**2:      144.3494480    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                16.31          1.60        5.4360    0   0   2
                18.24          5.18        4.8650    1   0   1
                23.12          1.76        3.8467    1   1   0
                28.42        100.00        3.1400    1   1   2
                29.62          2.19        3.0160    1   0   3
                32.93          9.86        2.7200    2   0   0
                32.95          4.92        2.7180    0   0   4
                36.95          1.23        2.4325    2   0   2
                37.90          1.14        2.3741    2   1   1
                37.90          1.17        2.3741    1   2   1
                47.26         18.02        1.9233    2   2   0
                47.28         36.00        1.9226    2   0   4
                56.07         11.90        1.6401    3   1   2
                56.07         11.90        1.6401    1   3   2
                56.11         11.88        1.6392    1   1   6
                58.82          3.25        1.5700    2   2   4
                69.06          4.72        1.3600    4   0   0
                69.12          2.36        1.3590    0   0   8
                76.30          3.94        1.2480    3   3   2
                76.33          3.94        1.2476    3   1   6
                76.33          3.94        1.2476    1   3   6
                78.67          1.08        1.2162    4   0   4
                78.71          1.08        1.2157    2   0   8
                87.95          4.32        1.1103    2   4   4
                87.95          4.32        1.1103    4   2   4
                87.99          4.32        1.1099    2   2   8
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.