data_global
_chemical_name_mineral 'Paranatrolite'
loop_
_publ_author_name
'Seryotkin Y V'
'Bakakin V V'
'Belitsky I A'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 16 
_journal_year 2004
_journal_page_first 545
_journal_page_last 550
_publ_section_title
;
 The crystal structure of paranatrolite
;
_chemical_formula_sum 'Na1.95 K.229 (Si2.75 Al2.25) O13.021 H6.04'
_cell_length_a 18.971
_cell_length_b 19.204
_cell_length_c 6.5952
_cell_angle_alpha 90
_cell_angle_beta 91.601
_cell_angle_gamma 90
_cell_volume 2401.819
_exptl_crystal_density_diffrn      2.246
_symmetry_space_group_name_H-M 'F 1 d 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/4+x,1/4-y,1/4+z'
  '1/4+x,3/4-y,3/4+z'
  '3/4+x,1/4-y,3/4+z'
  '3/4+x,3/4-y,1/4+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
Na1  -0.02490   0.21593   0.40350   0.97300   0.02810
Na10   0.03054   0.27995   0.87920   0.97700   0.03190
K   0.12970   0.37990   0.37800   0.22900   0.03340
SiT1   0.00000   0.00342   0.00000   0.59000   0.00930
AlT1   0.00000   0.00342   0.00000   0.41000   0.00930
SiT21  -0.08739   0.04280   0.37110   0.60000   0.00990
AlT21  -0.08739   0.04280   0.37110   0.40000   0.00990
SiT22   0.09389  -0.04350   0.38780   0.60000   0.00870
AlT22   0.09389  -0.04350   0.38780   0.40000   0.00870
AlT23   0.04920   0.08768   0.62380   0.51000   0.00970
SiT23   0.04920   0.08768   0.62380   0.49000   0.00970
AlT24  -0.03967  -0.08993   0.61330   0.53000   0.00970
SiT24  -0.03967  -0.08993   0.61330   0.47000   0.00970
O1   0.02360   0.07177   0.86270   1.00000   0.01920
O10  -0.01900  -0.06543   0.85470   1.00000   0.01890
O2   0.08596   0.16672   0.62470   1.00000   0.01540
O20  -0.07726  -0.16908   0.61940   1.00000   0.01520
O3   0.10458   0.02504   0.54210   1.00000   0.01770
O30  -0.09452  -0.03133   0.50270   1.00000   0.02070
O4  -0.02269   0.09221   0.46860   1.00000   0.02260
O40   0.03522  -0.09895   0.48190   1.00000   0.01970
O5  -0.07142   0.02389   0.12890   1.00000   0.01870
O50   0.06725  -0.01674   0.15820   1.00000   0.01910
Ow6   0.05730   0.19690   0.13320   0.98000   0.03040
H61   0.09800   0.20000   0.19900   0.98000   0.03200
H62   0.04400   0.15700   0.09600   0.98000   0.06000
Ow60  -0.04820   0.31840   0.60800   0.35900   0.04800
H601  -0.07600   0.28100   0.66700   0.36000 ?
H602  -0.06400   0.33500   0.47400   0.36000   0.03000
Ow7   0.03320   0.31680   0.51660   0.68500   0.04600
H71   0.08100   0.32600   0.49900   0.68000   0.00300
H72   0.00300   0.36100   0.49000   0.68000   0.13000
Ow70  -0.06160   0.20330   0.77640   0.99700   0.05200
H701  -0.08600   0.16600   0.70400   1.00000   0.22000
H702  -0.06100   0.19700   0.92200   1.00000   0.03200