data_global
_chemical_name_mineral 'Cancrinite'
loop_
_publ_author_name
'Lotti P'
'Gatta G D'
'Rotiroti N'
'Camara F'
_journal_name_full 'American Mineralogist'
_journal_volume 97 
_journal_year 2012
_journal_page_first 872
_journal_page_last 882
_publ_section_title
;
 High-pressure study of a natural cancrinite
 Note: P = 0.76 GPa
;
_database_code_amcsd 0019026
_chemical_compound_source 'Cameroun'
_chemical_formula_sum 'Si3 Al3 O15.64 Na3.522 Ca.438 C.88 H2'
_cell_length_a 12.580
_cell_length_b 12.580
_cell_length_c 5.058
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 693.219
_exptl_crystal_density_diffrn      2.523
_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
Si   0.08280   0.41120   0.73470   1.00000   0.00950
Al   0.33730   0.41260   0.73480   1.00000   0.01110
O1   0.20090   0.40220   0.63900   1.00000   0.01500
O2   0.11750   0.55420   0.70400   1.00000   0.01900
O3   0.04910   0.36320   0.03400   1.00000   0.01400
O4   0.32120   0.35400   0.04800   1.00000   0.01000
Na1   0.66667   0.33333   0.11200   0.96000   0.04100
Na2   0.87540   0.75170   0.77790   0.85400   0.03200
Ca   0.87540   0.75170   0.77790   0.14600   0.03200
C1   0.00000   0.00000   0.90000   0.42100   0.04000
OC1   0.06100   0.11900   0.88300   0.42100   0.04800
C2   0.00000   0.00000   0.67200   0.45900   0.04000
OC2   0.06200   0.11930   0.67200   0.45900   0.04800
Wat   0.30600   0.61300   0.18100   0.33333   0.05400