data_global
_chemical_name_mineral 'Alunite'
loop_
_publ_author_name
'Pabst A'
_journal_name_full 'American Mineralogist'
_journal_volume 32
_journal_year 1947
_journal_page_first 16
_journal_page_last 30
_publ_section_title
;
 Some computations on svanbergite, woodhouseite and alunite
;
_database_code_amcsd 37
_chemical_formula_sum 'K Al3 S2 O14 H6'
_cell_length_a 7.058
_cell_length_b 7.058
_cell_length_c 7.058
_cell_angle_alpha 59.08
_cell_angle_beta 59.08
_cell_angle_gamma 59.08
_cell_volume 243.402
_exptl_crystal_density_diffrn  2.826
_symmetry_space_group_name_H-M 'R -3 m '
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-z,-y'
  '-z,-x,-y'
  'y,x,z'
  'y,z,x'
  '-z,-y,-x'
  '-x,-y,-z'
  'x,z,y'
  'z,x,y'
  '-y,-x,-z'
  '-y,-z,-x'
  'z,y,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K   0.0  0.0  0.0
Al   0.5  0.0  0.0
S   0.305  0.305  0.305
O1   0.393  0.393  0.393
O2   0.512  0.157  0.157
O-H3   -0.174  0.276  0.276