data_global
_chemical_name_mineral 'Heideite'
loop_
_publ_author_name
'Takahashi T'
'Yamada O'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 7 
_journal_year 1973
_journal_page_first 25
_journal_page_last 30
_publ_section_title
;
 Crystallographic and magnetic properties of the Cd(OH)2
 layer structure compound TiS2 containing extra iron
;
_database_code_amcsd 0013313
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe Ti2 S4'
_cell_length_a 5.953
_cell_length_b 3.437
_cell_length_c 11.948
_cell_angle_alpha 90
_cell_angle_beta 90.10
_cell_angle_gamma 90
_cell_volume 244.461
_exptl_crystal_density_diffrn      3.802
_symmetry_space_group_name_H-M 'I 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe   0.00000   0.00000   0.00000
Ti   0.00000   0.00000   0.25000
S1   0.33333   0.00000   0.37500
S2   0.33333   0.00000   0.87500