data_global
_chemical_name_mineral 'Suredaite'
loop_
_publ_author_name
'Paar W H'
'Miletich R'
'Topa D'
'Criddle A J'
'De Brodtkorb M K'
'Amthauer G'
'Tippelt G'
_journal_name_full 'American Mineralogist'
_journal_volume 85 
_journal_year 2000
_journal_page_first 1066
_journal_page_last 1075
_publ_section_title
;
 Suredaite, PbSnS3, a new mineral species, from the Pirquitas Ag-Sn deposit,
 NW-Argentina: Mineralogy and crystal structure
;
_database_code_amcsd 0002474
_chemical_formula_sum 'Pb.92 Sn1.07 Fe.01 S3'
_cell_length_a 8.8221
_cell_length_b 3.7728
_cell_length_c 14.0076
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 466.229
_exptl_crystal_density_diffrn      5.904
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
PbA   0.50300   0.75000   0.17050   0.92000
SnA   0.50300   0.75000   0.17050   0.08000
SnB   0.16550   0.25000   0.05210   0.99000
FeB   0.16550   0.25000   0.05210   0.01000
S1  -0.01140   0.75000   0.10620   1.00000
S2   0.33940   0.75000  -0.00660   1.00000
S3   0.28550   0.25000   0.21320   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
PbA 0.04298 0.01940 0.03380 0.00000 -0.00063 0.00000
SnA 0.04298 0.01940 0.03380 0.00000 -0.00063 0.00000
SnB 0.01459 0.01608 0.01392 0.00000 0.00125 0.00000
FeB 0.01459 0.01608 0.01392 0.00000 0.00125 0.00000
S1 0.02484 0.01226 0.01491 0.00000 -0.00876 0.00000
S2 0.00473 0.02235 0.01292 0.00000 -0.00376 0.00000
S3 0.02957 0.01082 0.01590 0.00000 -0.01252 0.00000