# CIF Copied by cif2cif, version 1.0.1 (07 Apr 2005)
data_P6122
loop_
 
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_label
     .20200  .79800  .91667
  s
     .49800  .49800  .66667
  o
      .48800  .09600  .03800
  c1
 
loop_
 
 _atom_site_aniso_label
  s
 
 
#           ---end-of-data-block---
 
 
data_P6122                             #<---- duplicate data block
loop_
 
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_label
     .20200  .79800  .91667
  s
     .49800  .49800  .66667
  o
      .48800  .09600  .03800
  c1
 
loop_
 
 _atom_site_aniso_label
_rubbish_to_see_what_happens           #<---- requested item not present
 _atom_site_aniso_U_11
  s
  ?  .035(4)
 
 
#           ---end-of-data-block---
 
 
data_P6122                             #<---- duplicate data block
loop_
 
 _atom_type_symbol
 _atom_type_oxidation_number
 _atom_type_number_in_cell
 _atom_type_scat_dispersion_REAL
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
  S  0  6  .319  .557  Int_Tab_Vol_III_p202_Tab._3.3.1a
  O  0  6  .047  .032  Cromer,D.T._&_Mann,J.B._1968_AC_A24,321.
  C  0  20  .017  .009  Cromer,D.T._&_Mann,J.B._1968_AC_A24,321.
  RU  0  1  -.105   3.296  Cromer,D.T._&_Mann,J.B._1968_AC_A24,321.
 
loop_
 
 _atom_site_label
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_thermal_displace_type
 _atom_site_calc_flag
 _atom_site_calc_attached_atom
 _atom_site_type_symbol
  s  .20200  .79800  .91667  .030(3)  Uij  ?  ?  s
  o  .49800  .49800  .66667  .02520  Uiso  ?  ?  o
  c1  .48800  .09600  .03800  .03170  Uiso  ?  ?  c
 
loop_
 
 _atom_site_aniso_label
 _atom_site_aniso_U_11
 _atom_site_aniso_U_22
 _atom_site_aniso_U_33
 _atom_site_aniso_U_12
 _atom_site_aniso_U_13
 _atom_site_aniso_U_23
 _atom_site_aniso_type_symbol
  s  .035(4)  .025(3)  .025(3)  .0130(10)
                                         .00000  .00000  s
 
 
#           ---end-of-data-block---
 
 
 
