data_global
_chemical_name_mineral 'Gismondine'
loop_
_publ_author_name
'Fischer K F'
_journal_name_full 'American Mineralogist'
_journal_volume 48 
_journal_year 1963
_journal_page_first 664
_journal_page_last 672
_publ_section_title
;
 The crystal structure determination of the zeolite gismondite. CaAl2Si2O8.4H2O
;
_database_code_amcsd 0000123
_chemical_formula_sum 'Si2 Al2 Ca O12 H8'
_cell_length_a 10.02
_cell_length_b 10.62
_cell_length_c 9.84
_cell_angle_alpha 90
_cell_angle_beta 92.42
_cell_angle_gamma 90
_cell_volume 1046.164
_exptl_crystal_density_diffrn      2.224
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Si1   0.41500   0.11300   0.18200   1.00000
Si2   0.90800   0.87000   0.16000   1.00000
Al1   0.09700   0.11300   0.17000   1.00000
Al2   0.59000   0.86700   0.14900   1.00000
Ca   0.72000   0.07700   0.35400   1.00000
O1   0.07800   0.15400  -0.00100   1.00000
O2   0.26200   0.07500   0.21200   1.00000
O3   0.43800   0.14500   0.02600   1.00000
O4   0.24600   0.40700   0.30300   1.00000
O5   0.00000  -0.01700   0.21500   1.00000
O6   0.04400   0.24200   0.26100   1.00000
O7   0.46300   0.22400   0.27600   1.00000
O8   0.51100  -0.00500   0.22600   1.00000
Wat1   0.25700   0.10700   0.50500   1.00000
Wat2   0.59000   0.12700   0.53900   1.00000
Wat3   0.91100   0.11900   0.50100   1.00000
Wat4   0.77000   0.21000   0.17000   0.50000
Wat5   0.74000   0.18000   0.89500   0.50000