data_global
_chemical_name_mineral 'Berthierite'
loop_
_publ_author_name
'Lemoine P'
'Carre D'
'Robert F'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 47 
_journal_year 1991
_journal_page_first 938
_journal_page_last 940
_publ_section_title
;
 Structure du sulfure de fer et d'antimoine, FeSb2S4 (Berthierite)
;
_database_code_amcsd 0010254
_chemical_formula_sum 'Fe Sb2 S4'
_cell_length_a 11.401
_cell_length_b 14.148
_cell_length_c 3.758
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 606.170
_exptl_crystal_density_diffrn      4.686
_symmetry_space_group_name_H-M 'P n a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Fe1   0.31661   0.33484   0.25000   0.01340
Sb1   0.14457   0.06295   0.25000   0.01390
Sb2   0.03876   0.38551   0.75000   0.01120
S1   0.19550   0.27020   0.75000   0.01250
S2   0.42200   0.18420   0.25000   0.01310
S3   0.22360   0.49450   0.25000   0.01200
S4   0.45060   0.40460   0.75000   0.01200