#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002390.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9002390
_chemical_name '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
;
_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
_symmetry_space_group_name_H-M 'P n m a'
loop_
_symmetry_equiv_pos_as_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