data_global
_chemical_name_mineral 'Carlinite'
loop_
_publ_author_name
'Giester G'
'Lengauer C L'
'Tillmanns E'
'Zemann J'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 168 
_journal_year 2002
_journal_page_first 322
_journal_page_last 330
_publ_section_title
;
 Tl2S: Re-determination of crystal structure and stereochemical discussion
;
_database_code_amcsd 0014029
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Tl2 S'
_cell_length_a 12.150
_cell_length_b 12.150
_cell_length_c 18.190
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 2325.498
_exptl_crystal_density_diffrn      8.499
_symmetry_space_group_name_H-M 'R 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Tl1   0.12570   0.20300  -0.07810   0.04570
Tl2   0.46850   0.90650  -0.09690   0.04520
Tl3   0.80650   0.57190  -0.09920   0.04490
Tl4   0.24070   0.10600   0.10460   0.04510
Tl5   0.53990   0.74880   0.08460   0.04530
Tl6   0.87120   0.41240   0.08500   0.04570
S1   0.00000   0.00000   0.03650   0.04700
S2   0.33333   0.66667  -0.02550   0.04700
S3   0.66667   0.33333  -0.02610   0.04800
S4   0.00250   0.66300   0.02690   0.04100
S5   0.99920   0.32340  -0.02000   0.04700