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#$Date: 2016-02-16 18:55:33 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176466 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/33/8103388.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_8103388
loop_
_publ_author_name
'Nowacki, W.'
'Marumo, F.'
_publ_section_title
;
 The crystal structure of hatchite, Pb Tl Ag As2 S5
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
 Kristallchemie (145,1977-148,1979)
;
_journal_page_first              249
_journal_page_last               265
_journal_paper_doi               10.1524/zkri.1967.125.125.249
_journal_volume                  125
_journal_year                    1967
_chemical_formula_sum            'Ag As2 Pb S5 Tl'
_chemical_name_systematic        'Ag Pb Tl As2 S5'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                66.42
_cell_angle_beta                 65.28
_cell_angle_gamma                74.9
_cell_formula_units_Z            2
_cell_length_a                   9.22
_cell_length_b                   7.84
_cell_length_c                   8.06
_cell_volume                     481.987
_citation_journal_id_ASTM        ZKKKAJ
_cod_data_source_file            silver1-2_40.cif
_cod_data_source_block           Ag1As2Pb1S5Tl1
_cod_original_cell_volume        481.9866
_cod_original_formula_sum        'Ag1 As2 Pb1 S5 Tl1'
_cod_database_code               8103388
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ag1 Ag+1 0.0853 0.891 0.1553 1 0.0
S5 S-2 0.183 0.215 0.891 1 0.0
Tl1 Tl+1 0.4064 0.2473 0.0574 0.5 0.0
S2 S-2 0.246 0.624 0.099 1 0.0
S4 S-2 0.091 0.182 0.474 1 0.0
Tl2 Tl+1 0.1322 0.6968 0.7249 0.5 0.0
S3 S-2 0.414 0.869 0.286 1 0.0
S1 S-2 0.452 0.371 0.371 1 0.0
Pb1 Pb+2 0.4064 0.2473 0.0574 0.5 0.0
As2 As+3 0.367 0.1068 0.6698 1 0.0
Pb2 Pb+2 0.1322 0.6968 0.7249 0.5 0.0
As1 As+3 0.1928 0.455 0.4228 1 0.0