data_global
_chemical_name_mineral 'Cancrinite'
loop_
_publ_author_name
'Pekov I V'
'Olysych L V'
'Chukanov N V'
'Zubkova N V'
'Pushcharovsky D Yu'
'Van K V'
'Giester G'
'Tillmanns E'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 49 
_journal_year 2012
_journal_page_first 1129
_journal_page_last 1150
_publ_section_title
;
 Crystal chemistry of cancrinite-group minerals with an AB-type framework:
 A review and new data. I. Chemical and structural variations
 Note: Sample# ggm44331
;
_database_code_amcsd 0018876
_chemical_compound_source 'Vishnevye Mountains'
_chemical_formula_sum 'Si3.18 Al2.82 O15.549 Na3.49 Ca.51 C.85 H1.998'
_cell_length_a 12.627
_cell_length_b 12.627
_cell_length_c 5.136
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 709.179
_exptl_crystal_density_diffrn      2.468
_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   0.32815   0.41088   0.75000   1.00000   0.01027
Al2   0.07515   0.41252   0.75100   0.94000   0.01077
Si2   0.07515   0.41252   0.75100   0.06000   0.01077
O1   0.20301   0.40490   0.66050   1.00000   0.01720
O2   0.11441   0.56360   0.72660   1.00000   0.02190
O3   0.02867   0.34943   0.06000   1.00000   0.01680
O4   0.31430   0.35775   0.04270   1.00000   0.01770
Na   0.66667   0.33333   0.13450   1.00000   0.03740
Wat   0.68600   0.30300   0.68920   0.33300   0.06400
NaA   0.12230   0.24520   0.28670   0.44000   0.02410
CaA   0.12230   0.24520   0.28670   0.10000   0.02410
NaA*   0.12690   0.26010   0.30100   0.39000   0.04000
CaA*   0.12690   0.26010   0.30100   0.07000   0.04000
C1   0.00000   0.00000   0.69200   0.19000   0.01600
OC1   0.05740   0.11940   0.69200   0.19000   0.01000
C2   0.00000   0.00000   0.93500   0.21600   0.01200
OC2   0.06030   0.11550   0.93500   0.21600   0.03400
C3   0.00000   0.00000   0.61100   0.21000   0.02300
OC3   0.05410   0.11380   0.61100   0.21000   0.03400
C4   0.00000   0.00000   0.81000   0.23400   0.01800
OC4   0.06000   0.12300   0.81000   0.23400   0.07100