data_global
_amcsd_formula_title 'Fe2SiS4'
loop_
_publ_author_name
'Vincent H'
'Bertaut E'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 32 
_journal_year 1976
_journal_page_first 1749
_journal_page_last 1755
_publ_section_title
;
 Polyhedral deformations in olivine-type compounds and the crystal
 structure of Fe2 Si S4 and Fe2 Ge S4
 _cod_database_code 1008006
;
_database_code_amcsd 0015954
_chemical_formula_sum 'S4 Si Fe2'
_cell_length_a 12.407
_cell_length_b 7.198
_cell_length_c 5.812
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 519.044
_exptl_crystal_density_diffrn      3.430
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S1   0.40790   0.25000   0.72840
S2   0.56920   0.25000   0.23830
S3   0.33350   0.01730   0.24870
Si1   0.41110   0.25000   0.09160
Fe1   0.00000   0.00000   0.00000
Fe2   0.22990   0.25000   0.50980