data_global
_chemical_name_mineral 'Pharmacosiderite'
loop_
_publ_author_name
'Zemann J'
_journal_name_full 'Experientia'
_journal_volume 3 
_journal_year 1947
_journal_page_first 452
_journal_page_last 452
_publ_section_title
;
 Uber die struktur des pharmakosiderits
 Note: the K atom could not be located
;
_database_code_amcsd 0012642
_chemical_formula_sum 'As3 Fe4 O23 H18'
_cell_length_a 7.94
_cell_length_b 7.94
_cell_length_c 7.94
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 500.566
_exptl_crystal_density_diffrn      2.768
_symmetry_space_group_name_H-M 'P -4 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-z,x,-y'
  '-y,z,-x'
  '-x,y,-z'
  'x,-z,-y'
  'z,-y,-x'
  'y,-x,-z'
  'x,z,y'
  'z,y,x'
  'y,x,z'
  '-z,-x,y'
  '-y,-z,x'
  '-x,-y,z'
  'z,-x,-y'
  'y,-z,-x'
  'x,-y,-z'
  '-x,z,-y'
  '-z,y,-x'
  '-y,x,-z'
  '-x,-z,y'
  '-z,-y,x'
  '-y,-x,z'
  'z,x,y'
  'y,z,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
As   0.50000   0.00000   0.00000
Fe   0.12500   0.12500   0.12500
O1   0.12500   0.12500   0.37500
O-H2   0.87500   0.87500   0.87500
Wat3   0.00000   0.50000   0.50000
Wat4   0.65300   0.65300   0.65300