data_global
_chemical_name_mineral 'Amarantite'
loop_
_publ_author_name
'Susse P'
_journal_name_full 'Naturwissenschaften'
_journal_volume 54 
_journal_year 1967
_journal_page_first 642
_journal_page_last 643
_publ_section_title
;
 Crystal structure of amarantite
;
_database_code_amcsd 0021025
_chemical_compound_source 'Quetena, Chile'
_chemical_formula_sum 'Fe S O8 H7'
_cell_length_a 8.976
_cell_length_b 11.678
_cell_length_c 6.698
_cell_angle_alpha 95.65
_cell_angle_beta 90.36
_cell_angle_gamma 97.2
_cell_volume 693.052
_exptl_crystal_density_diffrn      2.137
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,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   0.91000   0.93500   0.14000   0.01267
Fe2   0.92500   0.23500   0.22500   0.01267
S1   0.83500   0.65000   0.08000   0.01267
S2   0.21000   0.93000   0.44500   0.01267
O1   0.01500   0.33500   0.04500   0.01267
O2   0.30500   0.40500   0.04500   0.01267
O3   0.80500   0.77000   0.15500   0.01267
O4   0.84500   0.58000   0.26500   0.01267
O5   0.83000   0.96500   0.42500   0.01267
O6   0.77500   0.16500   0.41500   0.01267
O7   0.36000   0.96000   0.34000   0.01267
O8   0.08500   0.90000   0.29000   0.01267
O9   0.98000   0.09500   0.11500   0.01267
Wat10   0.53500   0.78000   0.38500   0.01267
Wat11   0.88500   0.38500   0.38000   0.01267
Wat12   0.73500   0.23500   0.05000   0.01267
Wat13   0.29000   0.63000   0.25000   0.01267
Wat14   0.71000   0.96000   0.02500   0.01267
Wat15   0.45000   0.23500   0.18000   0.01267
Wat16   0.11000   0.24500   0.40500   0.01267