data_global
_chemical_name_mineral 'Raguinite'
loop_
_publ_author_name
'Welz D'
'Deppe P'
'Schaefer W'
'Sabrowsky H'
'Rosenberg M'
_journal_name_full 'Journal of Physics and Chemistry of Solids'
_journal_volume 50 
_journal_year 1989
_journal_page_first 297
_journal_page_last 308
_publ_section_title
;
 Magnetism of iron-sulfur tetrahedral frameworks in compounds with thallium
 I. Chain structures
;
_database_code_amcsd 0013236
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Tl Fe S2'
_cell_length_a 11.68
_cell_length_b 5.32
_cell_length_c 10.53
_cell_angle_alpha 90
_cell_angle_beta 144.60
_cell_angle_gamma 90
_cell_volume 379.029
_exptl_crystal_density_diffrn      5.684
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Tl   0.03400   0.00000   0.35900
Fe   0.00000   0.25400   0.00000
S1   0.25900   0.00000   0.29900
S2   0.41600   0.00000   0.09200