data_global
_chemical_name_mineral 'Berthierite'
loop_
_publ_author_name
'Periotto B'
'Balic-Zunic T'
'Nestola F'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 50 
_journal_year 2012
_journal_page_first 201
_journal_page_last 218
_publ_section_title
;
 The role of the Sb3+ lone-electron pairs and Fe2+ coordination in
 the high-pressure behavior of berthierite
 Note: P = 6.62 GPa
 the Baia Mare metallogenic area, Romania
;
_database_code_amcsd 0019210
_chemical_compound_source 'hydro-thermal vein-type deposit of Herja in'
_chemical_formula_sum 'Fe Sb2 S4'
_cell_length_a 10.9404
_cell_length_b 13.3719
_cell_length_c 3.6973
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 540.893
_exptl_crystal_density_diffrn      5.251
_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
Fe   0.31740   0.33430   0.25000   0.01290
Sb1   0.14300   0.07540   0.25000   0.01350
Sb2   0.03920   0.39530   0.75000   0.01170
S1   0.19440   0.26600   0.75000   0.01300
S2   0.41940   0.18000   0.25000   0.01300
S3   0.22110   0.49600   0.25000   0.01200
S4   0.45200   0.40400   0.75000   0.01100