data_global
_chemical_name_mineral 'Meionite'
loop_
_publ_author_name
'Antao S M'
'Hassan I'
_journal_name_full 'American Mineralogist'
_journal_volume 93 
_journal_year 2008
_journal_page_first 1470
_journal_page_last 1477
_publ_section_title
;
 Unusual Al-Si ordering in calcic scapolite, Me79.6, with increasing temperature
 T = 900
;
_database_code_amcsd 0004650
_chemical_formula_sum '(Ca3.176 Na.824) Si7.92 Al4.08 C.834 S.146 O27.084'
_cell_length_a 12.2778
_cell_length_b 12.2778
_cell_length_c 7.5861
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1143.562
_exptl_crystal_density_diffrn      2.692
_symmetry_space_group_name_H-M 'I 4/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-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
CaM   0.35560   0.28580   0.00000   0.79400   0.06100
NaM   0.35560   0.28580   0.00000   0.20600   0.06100
SiTl   0.16080   0.08750   0.00000   1.00000   0.02700
SiT2   0.15800   0.41710   0.20550   0.49000   0.02700
AlT2   0.15800   0.41710   0.20550   0.51000   0.02700
CA   0.50000   0.50000   0.00000   0.83400   0.05200
SA   0.50000   0.50000   0.00000   0.14600   0.05200
O1   0.04360   0.14780   0.00000   1.00000   0.03500
O2   0.18960   0.38040   0.00000   1.00000   0.03900
O3   0.44920   0.14820   0.21860   1.00000   0.05100
O4   0.26580   0.37310   0.66190   1.00000   0.05300
O5S   0.41430   0.50200   0.20410   0.07300   0.18200
O6C   0.60260   0.49820   0.00000   0.62500   0.18200