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# tz3/1
;
_database_code_amcsd 0018871
_chemical_compound_source 'Tamazeght'
_chemical_formula_sum 'Si3.18 Al2.82 O15.3 Na3.155 Ca.6 C.767 H1.998'
_cell_length_a 12.625
_cell_length_b 12.625
_cell_length_c 5.122
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 707.022
_exptl_crystal_density_diffrn      2.433
_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   0.32817   0.41076   0.75000   1.00000   0.00990
Al2   0.07537   0.41230   0.75110   0.94000   0.00880
Si2   0.07537   0.41230   0.75110   0.06000   0.00880
O1   0.20280   0.40370   0.65790   1.00000   0.01560
O2   0.11320   0.56350   0.72830   1.00000   0.02210
O3   0.02990   0.35020   0.06180   1.00000   0.01770
O4   0.31410   0.35640   0.04430   1.00000   0.01770
Na   0.66667   0.33333   0.13530   0.84500   0.03700
Wat   0.69500   0.37560   0.68400   0.33300   0.06100
NaA   0.12300   0.24943   0.29440   0.77000   0.02690
CaA   0.12300   0.24943   0.29440   0.20000   0.02690
C1   0.00000   0.00000   0.66900   0.40200   0.04000
OC1   0.05590   0.11780   0.66900   0.40200   0.04600
C2   0.00000   0.00000   0.89900   0.36500   0.05900
OC2   0.05900   0.11940   0.89900   0.36500   0.05600