data_global
_chemical_name_mineral 'Brewsterite-Sr'
loop_
_publ_author_name
'Perrotta A J'
'Smith J V'
_journal_name_full 'Acta Crystallographica'
_journal_volume 17 
_journal_year 1964
_journal_page_first 857
_journal_page_last 862
_publ_section_title
;
 The crystal structure of brewsterite, (Sr,Ba,Ca)(Al2Si6O16)*5H2O
 Note: zeolite
;
_database_code_amcsd 0009286
_chemical_compound_source 'Strontian, Argyll, Scotland'
_chemical_formula_sum 'Sr.58 Ba.3 Ca.14 Al1.98 Si6.02 O20.9 H9.8'
_cell_length_a 6.772
_cell_length_b 17.51
_cell_length_c 7.744
_cell_angle_alpha 90
_cell_angle_beta 94.30
_cell_angle_gamma 90
_cell_volume 915.681
_exptl_crystal_density_diffrn      2.410
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-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
Sr   0.25070   0.25000   0.17780   0.58000   0.01292
Ba   0.25070   0.25000   0.17780   0.30000   0.01292
Ca   0.25070   0.25000   0.17780   0.14000   0.01292
AlA   0.31870   0.08140   0.82200   0.33000   0.01203
AlB   0.40530   0.05680   0.21050   0.33000   0.01064
AlC   0.55660   0.15840   0.53450   0.33000   0.01089
SiA   0.31870   0.08140   0.82200   0.67000   0.01203
SiB   0.40530   0.05680   0.21050   0.67000   0.01064
SiC   0.55660   0.15840   0.53450   0.67000   0.01089
SiD   0.91060   0.05270   0.64120   1.00000   0.01115
O1   0.34610   0.10570   0.02860   1.00000   0.01900
O2   0.42440   0.12270   0.36000   1.00000   0.03040
O3   0.79090   0.12140   0.54660   1.00000   0.01900
O4   0.45190   0.14060   0.71410   1.00000   0.02026
O5   0.07310   0.09150   0.76040   1.00000   0.02913
O6   0.22120   0.99700   0.23790   1.00000   0.03166
O7   0.38350   0.99200   0.79590   1.00000   0.02153
O8   0.00000   0.00000   0.50000   1.00000   0.03293
O9   0.57650   0.25000   0.49860   1.00000   0.02660
Wat1   0.05450   0.25000   0.47030   0.98000   0.04433
Wat2   0.93190   0.14690   0.15370   0.98000   0.07219
Wat3   0.58960   0.25000   0.02560   0.98000   0.05826
Wat4   0.05440   0.25000   0.86420   0.98000   0.03166