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
 Sample: hypothetical idealized structure
;
_database_code_amcsd 0014030
_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
Tl1   0.11111   0.22222  -0.09140
Tl2   0.44444   0.88889  -0.09140
Tl3   0.77778   0.55556  -0.09140
Tl4   0.22222   0.11111   0.09140
Tl5   0.55556   0.77778   0.09140
Tl6   0.88889   0.44444   0.09140
S1   0.00000   0.00000   0.00000
S2   0.33333   0.66667   0.00000
S3   0.66667   0.33333   0.00000
S4   0.00000   0.66667   0.00000
S5   0.00000   0.33333   0.00000