data_global
_chemical_name_mineral 'Scapolite'
loop_
_publ_author_name
'Sherriff B L'
'Sokolova E V'
'Kabalov Y K'
'Teertstra D K'
'Kunath-Fandrei G'
'Goetz S'
'Jager C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 36 
_journal_year 1998
_journal_page_first 1267
_journal_page_last 1283
_publ_section_title
;
 Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld
 structure-refinement
 Sample: MIN
;
_database_code_amcsd 0005577
_chemical_formula_sum 'Na1.52 K.16 Ca2.24 Si7.44 Al4.56 (Cl.28 S.57 C.15) O28.08'
_cell_length_a 12.1224
_cell_length_b 12.1224
_cell_length_c 7.5110
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1103.761
_exptl_crystal_density_diffrn      2.835
_symmetry_space_group_name_H-M 'P 42/n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,1/2-x,1/2-z'
  '-y,1/2+x,1/2+z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  '1/2-y,x,1/2-z'
  '1/2+y,-x,1/2+z'
  '-x,-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
NaM   0.53570   0.61110   0.74500   0.38000   0.03014
KM   0.53570   0.61110   0.74500   0.04000   0.03014
CaM   0.53570   0.61110   0.74500   0.56000   0.03014
SiT1   0.66010   0.58920   0.24900   1.00000   0.01798
SiT2   0.16400   0.91000   0.04600   0.43000   0.02571
AlT2   0.16400   0.91000   0.04600   0.57000   0.02571
SiT3   0.09000   0.66400   0.95900   0.43000   0.01267
AlT3   0.09000   0.66400   0.95900   0.57000   0.01267
ClA   0.25000   0.25000   0.25000   0.28000   0.04053
SA   0.25000   0.25000   0.25000   0.57000   0.04053
CA   0.25000   0.25000   0.25000   0.15000   0.04053
O1   0.60090   0.70680   0.25000   1.00000   0.02660
O2   0.12460   0.93790   0.24600   1.00000   0.01393
O3   0.20700   0.59900   0.04400   1.00000   0.01900
O4   0.10500   0.80800   0.95600   1.00000   0.02913
O5   0.62400   0.52300   0.06600   1.00000   0.03166
O6   0.98200   0.61700   0.08000   1.00000   0.01393
O7   0.12600   0.26700   0.25000   0.15000   0.04433
O8   0.29000   0.34600   0.25000   0.15000   0.04433
O9   0.27600   0.16400   0.25000   0.15000   0.04433
O10   0.26800   0.35000   0.35600   0.57000   0.04433