data_global
_chemical_name_mineral 'Woodhouseite'
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 36
_chemical_formula_sum 'Ca Al3 (S P) O14 H6'
_cell_length_a 6.75
_cell_length_b 6.75
_cell_length_c 6.75
_cell_angle_alpha 62.07
_cell_angle_beta 62.07
_cell_angle_gamma 62.07
_cell_volume 227.532
_exptl_crystal_density_diffrn  3.022
_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
_atom_site_occupancy
Ca   0.0  0.0  0.0  1.0
Al   0.5  0.0  0.0  1.0
S   0.31  0.31  0.31  0.5
P   0.31  0.31  0.31  0.5
O1   0.405  0.405  0.405  1.0
O   0.52  0.16  0.16  1.0
O-H   -0.12  0.27  0.27  1.0