data_global
_chemical_name_mineral 'Franckeite'
loop_
_publ_author_name
'Makovicky E'
'Petricek V'
'Dusek M'
'Topa D'
_journal_name_full 'American Mineralogist'
_journal_volume 96 
_journal_year 2011
_journal_page_first 1686
_journal_page_last 1702
_publ_section_title
;
 The crystal structure of franckeite, Pb21.7Sn9.3Fe4.0Sb8.1S56.9
;
_database_code_amcsd 0018603
_chemical_compound_source 'San Jose, Bolivia'
_chemical_formula_sum 'Sn2.56 Fe.43 S6 Pb2.01'
_cell_length_a 5.805
_cell_length_b 5.856
_cell_length_c 17.338
_cell_angle_alpha 94.97
_cell_angle_beta 88.45
_cell_angle_gamma 89.94
_cell_volume 586.955
_exptl_crystal_density_diffrn      5.300
_symmetry_space_group_name_H-M 'C -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Sn1   0.25000   0.25000   0.00000   0.57000   0.02590
Fe1   0.25000   0.25000   0.00000   0.43000   0.02590
S1   0.28820   0.60700   0.08270   1.00000   0.04680
Pb2   0.63901   0.97083  -0.23153   0.74000   0.03530
Sn2   0.63901   0.97083  -0.23153   0.26000   0.03530
Pb3   0.17797   0.95073  -0.41250   0.26500   0.03530
Sn3   0.17797   0.95073  -0.41250   0.73500   0.03530
S2   0.14350   0.96530  -0.26600   1.00000   0.03540
S3   0.13490   0.42390  -0.40400   1.00000   0.05560
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
Sn1 0.03570 0.00820 0.03440 0.00040 0.00820 0.00050
Fe1 0.03570 0.00820 0.03440 0.00040 0.00820 0.00050
S1 0.09000 0.01560 0.03500 0.00100 0.00600 0.00070
Pb2 0.02690 0.03010 0.04840 -0.00080 0.00000 0.00100
Sn2 0.02690 0.03010 0.04840 -0.00080 0.00000 0.00100
Pb3 0.03000 0.03140 0.04430 0.00770 0.00570 0.00510
Sn3 0.03000 0.03140 0.04430 0.00770 0.00570 0.00510
S2 0.02070 0.02360 0.06100 0.00280 0.00430 0.00250
S3 0.05800 0.07400 0.03300 -0.02800 0.00470 -0.00500