data_global
_chemical_name_mineral 'Zincobotryogen'
loop_
_publ_author_name
'Suesse P'
_journal_name_full 'Naturwissenschaften'
_journal_volume 54 
_journal_year 1967
_journal_page_first 139
_journal_page_last 139
_publ_section_title
;
 Die kristallstruktur des botryogens
;
_database_code_amcsd 0014694
_chemical_compound_source 'Quetena, Chile'
_chemical_formula_sum 'Fe1.08 Zn.47 Mn.25 Mg.2 S2 O16 H15'
_cell_length_a 10.51
_cell_length_b 17.85
_cell_length_c 7.14
_cell_angle_alpha 90
_cell_angle_beta 100.00
_cell_angle_gamma 90
_cell_volume 1319.139
_exptl_crystal_density_diffrn      2.240
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
FeM11   0.00000   0.00000   0.00000   1.00000   0.01013
FeM12   0.00000   0.00000   0.50000   1.00000   0.01013
ZnM2   0.40800   0.18300   0.34900   0.47000   0.01013
MnM2   0.40800   0.18300   0.34900   0.25000   0.01013
MgM2   0.40800   0.18300   0.34900   0.20000   0.01013
FeM2   0.40800   0.18300   0.34900   0.08000   0.01013
S1   0.09400   0.13800   0.27900   1.00000   0.01013
S2   0.70800   0.06900   0.88300   1.00000   0.01013
O1   0.01000   0.10500   0.11900   1.00000   0.01013
O2   0.21600   0.16500   0.23000   1.00000   0.01013
O3   0.11500   0.08100   0.42800   1.00000   0.01013
O4   0.02100   0.19800   0.35300   1.00000   0.01013
O5   0.74000   0.11600   0.74200   1.00000   0.01013
O6   0.81100   0.01000   0.92500   1.00000   0.01013
O7   0.71100   0.11200   0.04800   1.00000   0.01013
O8   0.58300   0.03500   0.82300   1.00000   0.01013
O-H   0.01400   0.03000   0.75000   1.00000   0.01013
Wat1   0.45000   0.11300   0.11900   1.00000   0.01013
Wat2   0.60300   0.20600   0.46700   1.00000   0.01013
Wat3   0.33600   0.24800   0.56100   1.00000   0.01013
Wat4   0.83000   0.06700   0.42000   1.00000   0.01013
Wat5   0.91600   0.22200   0.68100   1.00000   0.01013
Wat6   0.20800   0.16200   0.82200   1.00000   0.01013
Wat7   0.41400   0.08800   0.52800   1.00000   0.01013