data_global
_chemical_name_mineral 'Pitiglianoite'
loop_
_publ_author_name
'Merlino S'
'Mellini M'
'Bonaccorsi E'
'Pasero M'
'Leoni L'
'Orlandi P'
_journal_name_full 'American Mineralogist'
_journal_volume 76 
_journal_year 1991
_journal_page_first 2003
_journal_page_last 2008
_publ_section_title
;
 Pitiglianoite, a new feldspathoid from southern Tuscany, Italy: Chemical
 composition and crystal structure
;
_database_code_amcsd 0001438
_chemical_formula_sum 'Si9 Al9 O44.997 Na10.998 K4.002 S1.5 H5.994'
_cell_length_a 22.121
_cell_length_b 22.121
_cell_length_c 5.221
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 2212.554
_exptl_crystal_density_diffrn      2.520
_symmetry_space_group_name_H-M 'P 63'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x-y,x,1/2+z'
  '-y,x-y,z'
  '-x,-y,1/2+z'
  '-x+y,-x,z'
  'y,-x+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
Si1   0.83340   0.25060   0.28640   1.00000   0.00690
Si2   0.91410   0.49830   0.78750   1.00000   0.00820
Si3   0.91590   0.75030   0.78650   1.00000   0.00820
Al1   0.91440   0.16500   0.28580   1.00000   0.00720
Al2   0.91830   0.42050   0.28760   1.00000   0.00820
Al3   0.82980   0.58280   0.78910   1.00000   0.01000
O1   0.86730   0.53340   0.71900   1.00000   0.01400
O2   0.99880   0.79780   0.71830   1.00000   0.01300
O3   0.86940   0.33320   0.21880   1.00000   0.01400
O4   0.89470   0.66910   0.76540   1.00000   0.02100
O5   0.99560   0.55920   0.76690   1.00000   0.02500
O6   0.89390   0.23020   0.25700   1.00000   0.01900
O7   0.77030   0.20900   0.08420   1.00000   0.01900
O8   0.89440   0.43440   0.58750   1.00000   0.01300
O9   0.89770   0.12560   0.58290   1.00000   0.01200
O10   0.89450   0.46390   0.07210   1.00000   0.01700
O11   0.86860   0.09780   0.07010   1.00000   0.01800
O12   0.79950   0.23730   0.57190   1.00000   0.01900
Na   0.33420   0.33340   0.66190   1.00000   0.03700
Wat1   0.30910   0.30720   0.23240   0.33300   0.07300
Wat2   0.36180   0.32900   0.22850   0.33300   0.03500
Wat3   0.33730   0.35090   0.22380   0.33300   0.09100
K1   0.77900   0.44610   0.32410   0.66700   0.03200
Na1   0.77900   0.44610   0.32410   0.33300   0.03200
Na1   0.66600   0.48440   0.81710   1.00000   0.02200
S1   0.66667   0.33333   0.82070   1.00000   0.03800
OA1   0.70410   0.34440   0.58600   0.33300   0.20000
OB1   0.72410   0.33190   0.97150   1.00000   0.09500
K2   0.99970   0.11190   0.82860   0.66700   0.02850
Na2   0.99970   0.11190   0.82860   0.33300   0.02850
Na2   0.84950  -0.00010   0.32190   1.00000   0.01640
S2   0.00000   0.00000   0.33750   0.50000   0.03600
OA2   0.02690   0.03870   0.56610   0.16700   0.13000
OB2   0.05840   0.05690   0.18040   0.50000   0.10400