data_global
_chemical_name_mineral 'Wohlerite'
loop_
_publ_author_name
'Bellezza M'
'Merlino S'
'Perchiazzi N'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 50 
_journal_year 2012
_journal_page_first 531
_journal_page_last 548
_publ_section_title
;
 Distinct domains in "guarinite" from Monte Somma, Italy:
 Crystal structures and crystal chemistry
 Note: "Guarinite" Domain II
;
_database_code_amcsd 0019217
_chemical_compound_source 'Monte Somma syenite, Italy'
_chemical_formula_sum 'Ca4.25 Nb.57 Zr1.43 Fe.18 Na1.57 Si4 O17 F'
_cell_length_a 10.836
_cell_length_b 10.270
_cell_length_c 7.296
_cell_angle_alpha 90
_cell_angle_beta 109.13
_cell_angle_gamma 90
_cell_volume 767.103
_exptl_crystal_density_diffrn      3.477
_symmetry_space_group_name_H-M 'P 1 21 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-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(1)   0.34690   0.29650   0.55260   1.00000   0.01900
Nb   0.12990   0.05210   0.18970   0.57000   0.01400
ZrNb   0.12990   0.05210   0.18970   0.43000   0.01400
Zr   0.34270   0.28680   0.05350   1.00000   0.01200
Ca(2)   0.14600   0.68170   0.19860   0.82000   0.01200
Fe(2)   0.14600   0.68170   0.19860   0.18000   0.01200
Ca(3)   0.36930   0.91040   0.05540   1.00000   0.01700
Ca(4)   0.15310   0.68030   0.69950   1.00000   0.01400
Na(1)   0.12160   0.06750   0.69090   0.77000   0.02100
Ca(1)   0.12160   0.06750   0.69090   0.23000   0.02100
Na(2)   0.36810   0.91420   0.55140   0.80000   0.02000
Ca(2)   0.36810   0.91420   0.55140   0.20000   0.02000
Si(1)   0.08080   0.37130   0.19800   1.00000   0.01200
Si(2)   0.07240   0.36320   0.63580   1.00000   0.01200
Si(3)   0.43740   0.61120   0.56250   1.00000   0.01200
Si(4)   0.43190   0.61070   0.12310   1.00000   0.01200
O(1)   0.00650   0.23600   0.11640   1.00000   0.01900
O(2)  -0.01810   0.23860   0.62130   1.00000   0.01600
O(3)   0.00780   0.49980   0.09120   1.00000   0.02400
O(4)   0.01690   0.49690   0.69440   1.00000   0.02200
O(5)   0.23240   0.36990   0.20700   1.00000   0.02000
O(6)   0.22110   0.33230   0.77540   1.00000   0.01700
O(7)   0.48710   0.46900   0.64860   1.00000   0.01900
O(8)   0.46070   0.46030   0.07720   1.00000   0.01900
O(9)   0.47440   0.23410   0.32010   1.00000   0.01600
O(10)   0.46640   0.21480   0.91480   1.00000   0.01800
O(11)   0.28520   0.63710   0.51560   1.00000   0.02300
O(12)   0.28550   0.66690   0.01970   1.00000   0.01900
O(13)   0.24610   0.11320   0.03650   1.00000   0.02300
O(14)   0.22830   0.11350   0.45030   1.00000   0.02500
F(15)   0.23820   0.88660   0.74450   1.00000   0.01800
O(16)   0.21780   0.88800   0.22730   1.00000   0.01800
O(17)   0.08650   0.38860   0.42410   1.00000   0.02800
O(18)   0.52680   0.12140   0.64040   1.00000   0.02200