#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007454.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_9007454
loop_
_publ_author_name
'Zemann A'
'Zemann J'
_publ_section_title
;
 Zur kenntnis der kristallstruktur von lorandit, TlAsS2
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              1002
_journal_page_last               1006
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'Tl As S2'
_chemical_name_mineral           Lorandite
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.2
_cell_angle_gamma                90
_cell_length_a                   12.27
_cell_length_b                   11.33
_cell_length_c                   6.11
_cell_volume                     823.453
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Tl1 0.05100 0.31300 0.16000 0.04749
Tl2 0.10100 0.05600 0.73200 0.04749
As1 0.19000 0.82000 0.23700 0.04749
As2 0.15100 0.58500 0.55400 0.04749
S1 0.12500 0.32000 0.75000 0.04749
S2 0.15000 0.58000 0.20000 0.04749
S3 0.12500 0.79000 0.51000 0.04749
S4 0.20000 0.03000 0.20000 0.04749