data_global
_chemical_name_mineral 'Epistilbite'
loop_
_publ_author_name
'Perrotta A J'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 36 
_journal_year 1967
_journal_page_first 480
_journal_page_last 490
_publ_section_title
;
 The crystal structure of epistilbite
;
_database_code_amcsd 0014448
_chemical_compound_source 'Teigarhorn, Iceland'
_chemical_formula_sum 'Ca1.296 Na.53 K.05 (Al3.144 Si8.856) O31.87 H15.739'
_cell_length_a 9.08
_cell_length_b 17.74
_cell_length_c 10.25
_cell_angle_alpha 90
_cell_angle_beta 124.54
_cell_angle_gamma 90
_cell_volume 1360.030
_exptl_crystal_density_diffrn      2.260
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-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
Ca   0.76000   0.00000   0.25100   0.64800   0.03293
Na   0.76000   0.00000   0.25100   0.26500   0.03293
K   0.76000   0.00000   0.25100   0.02500   0.03293
AlTA   0.00100   0.08800   0.16100   0.26200   0.00760
SiTA   0.00100   0.08800   0.16100   0.73800   0.00760
AlTB   0.29300   0.20800   0.39000   0.26200   0.01013
SiTB   0.29300   0.20800   0.39000   0.73800   0.01013
AlTC   0.70700   0.19700   0.09700   0.26200   0.01393
SiTC   0.70700   0.19700   0.09700   0.73800   0.01393
O1   0.02100   0.00000   0.21500   1.00000   0.01013
O2   0.00000   0.10000   0.00000   1.00000   0.02533
O3   0.81200   0.11700   0.13200   1.00000   0.02153
O4   0.17000   0.13400   0.30900   1.00000   0.01900
O5   0.50000   0.18000   0.00000   1.00000   0.03926
O6   0.50000   0.17900   0.50000   1.00000   0.01393
O7   0.75000   0.25000   0.00000   1.00000   0.05826
O8   0.77300   0.23300   0.26100   1.00000   0.05953
O9   0.25000   0.25000   0.50000   1.00000   0.05826
Wat1   0.72400   0.00000   0.50200   0.87440   0.06206
Wat2   0.00000   0.07800   0.50000   0.87440   0.06206
Wat3   0.55900   0.08200   0.28100   0.87440   0.05066
Wat4   0.50000   0.00000   0.00000   0.87440   0.04179