data_global
_chemical_name_mineral 'Stannoidite'
loop_
_publ_author_name
'Kudoh Y'
'Takeuchi Y'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 144 
_journal_year 1976
_journal_page_first 145
_journal_page_last 160
_publ_section_title
;
 The superstructure of stannoidite
;
_database_code_amcsd 0010783
_chemical_compound_source 'Konjo mine, Japan'
_chemical_formula_sum 'Zn.85 Fe2.15 Cu8 Sn2 S12'
_cell_length_a 10.767
_cell_length_b 5.411
_cell_length_c 16.118
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 939.038
_exptl_crystal_density_diffrn      4.620
_symmetry_space_group_name_H-M 'I 2 2 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Zn1   0.00000   0.00000   0.00000   0.85000
Fe1   0.00000   0.00000   0.00000   0.15000
Cu2   0.50000   0.00000   0.00000   1.00000
Cu3   0.00000   0.00000   0.50000   1.00000
Cu4   0.25110   0.00000   0.50000   1.00000
Fe5   0.00000   0.00000   0.32980   1.00000
Sn6   0.00000   0.50000   0.16930   1.00000
Cu7   0.24650   0.01070   0.16950   1.00000
S1   0.13080   0.24430   0.08260   1.00000
S2   0.37920   0.75580   0.08010   1.00000
S3   0.12940   0.74880   0.25460   1.00000
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
Zn1 0.01762 0.01928 0.00790 0.00000 0.00000 0.00000
Fe1 0.01762 0.01928 0.00790 0.00000 0.00000 0.00000
Cu2 0.02760 0.02077 0.01711 0.00000 0.00000 0.00000
Cu3 0.01997 0.02818 0.01448 0.00000 0.00000 0.00000
Cu4 0.01821 0.01780 0.01316 0.00000 0.00000 0.00309
Fe5 0.01586 0.01187 0.00790 -0.00295 0.00000 0.00000
Sn6 0.00822 0.00297 0.00526 0.00030 0.00000 0.00000
Cu7 0.02290 0.01780 0.01974 -0.00207 -0.00176 0.00353
S1 0.01644 0.01038 0.01053 -0.00620 0.00176 -0.00619
S2 0.01410 0.01335 0.00921 0.00797 0.00088 -0.00663
S3 0.01233 0.00890 0.01053 -0.00915 0.00264 -0.00088