data_global
_chemical_name_mineral 'Wairakite'
loop_
_publ_author_name
'Takeuchi Y'
'Mazzi F'
'Haga N'
'Galli E'
_journal_name_full 'American Mineralogist'
_journal_volume 64 
_journal_year 1979
_journal_page_first 993
_journal_page_last 1001
_publ_section_title
;
 The crystal structure of wairakite
;
_database_code_amcsd 0000740
_chemical_formula_sum 'Na.139 Ca.899 (Si4.1 Al1.9) O14 H4'
_cell_length_a 13.692
_cell_length_b 13.643
_cell_length_c 13.560
_cell_angle_alpha 90
_cell_angle_beta 90.5
_cell_angle_gamma 90
_cell_volume 2532.911
_exptl_crystal_density_diffrn      2.274
_symmetry_space_group_name_H-M 'I 1 2/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2+x,-y,z'
  '+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-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
Na11   0.13180   0.99970   0.25610   0.04200   0.04686
Na12a   0.25000   0.12030   0.00000   0.03400   0.02786
Na12b   0.75000   0.37630   0.00000   0.04100   0.04939
Ca2   0.01150   0.24740   0.11600   0.89900   0.02267
Na2   0.01150   0.24740   0.11600   0.05900   0.02267
Si11a   0.11220   0.15800   0.41750   0.93000   0.00608
Al11a   0.11220   0.15800   0.41750   0.07000   0.00608
Si11b   0.87140   0.33810   0.40560   0.95000   0.00684
Al11b   0.87140   0.33810   0.40560   0.05000   0.00684
Si12a   0.42210   0.13100   0.15990   0.95000   0.00659
Al12a   0.42210   0.13100   0.15990   0.05000   0.00659
Si12b   0.59710   0.37280   0.16820   0.95000   0.00773
Al12b   0.59710   0.37280   0.16820   0.05000   0.00773
Si2a   0.17530   0.41120   0.13700   0.16000   0.00684
Al2a   0.17530   0.41120   0.13700   0.84000   0.00684
Si2b   0.84740   0.08560   0.11760   0.16000   0.00671
Al2b   0.84740   0.08560   0.11760   0.84000   0.00671
O11a   0.10990   0.34840   0.22740   1.00000   0.01583
O11b   0.90950   0.14640   0.21390   1.00000   0.01520
O12a   0.38340   0.13760   0.46600   1.00000   0.01469
O12b   0.59830   0.35010   0.47910   1.00000   0.01292
O21a   0.20290   0.11650   0.35750   1.00000   0.01950
O21b   0.77630   0.39990   0.37960   1.00000   0.01836
O22a   0.12820   0.46260   0.38630   1.00000   0.01786
O22b   0.83550   0.03570   0.35480   1.00000   0.01697
O31a   0.39760   0.22430   0.08910   1.00000   0.01938
O31b   0.64440   0.27800   0.11440   1.00000   0.01963
O32a   0.48680   0.38960   0.12800   1.00000   0.02090
O32b   0.54050   0.12180   0.16390   1.00000   0.01849
Wat1   0.13440   0.12640   0.13480   1.00000   0.06383
Watb   0.88580   0.37030   0.11690   1.00000   0.05218