data_global
_chemical_name_mineral 'Parasymplesite'
loop_
_publ_author_name
'Mori H'
'Ito T'
_journal_name_full 'Acta Crystallographica'
_journal_volume 3 
_journal_year 1950
_journal_page_first 1
_journal_page_last 6
_publ_section_title
;
 The structure of vivianite and symplesite
;
_database_code_amcsd 0009137
_chemical_compound_source 'Kiura, Japan'
_chemical_formula_sum 'Fe3 As2 O16 H16'
_cell_length_a 10.25
_cell_length_b 13.48
_cell_length_c 4.71
_cell_angle_alpha 90
_cell_angle_beta 103.83
_cell_angle_gamma 90
_cell_volume 631.914
_exptl_crystal_density_diffrn      3.098
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
FeI   0.00000   0.00000   0.00000
FeII   0.00000   0.39000   0.00000
As   0.31500   0.00000   0.41000
OI   0.15500   0.00000   0.35000
OII   0.40000   0.00000   0.75000
OIII   0.36500   0.10000   0.24500
WatI   0.08500   0.11000   0.82000
WatII   0.40000   0.22000   0.75000