data_global
_chemical_name_mineral 'Lazurite'
loop_
_publ_author_name
'Hassan I'
'Peterson R C'
'Grundy H D'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 41 
_journal_year 1985
_journal_page_first 827
_journal_page_last 832
_publ_section_title
;
 The structure of lazurite, ideally Na6Ca2(Al6Si6O24)S2, a member of the
 sodalite group
 Locality: Baffin Island
;
_chemical_formula_sum 'Na3.48 Ca.6 Al2.91 Si3.09 O11.52 S'
_cell_length_a 9.054
_cell_length_b 9.054
_cell_length_c 9.054
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 742.201
_exptl_crystal_density_diffrn      2.173
_symmetry_space_group_name_H-M 'P -4 3 n'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-z,x,-y'
  '-y,z,-x'
  '-x,y,-z'
  '1/2+x,1/2-z,1/2-y'
  '1/2+z,1/2-y,1/2-x'
  '1/2+y,1/2-x,1/2-z'
  '1/2+x,1/2+z,1/2+y'
  '1/2+z,1/2+y,1/2+x'
  '1/2+y,1/2+x,1/2+z'
  '-z,-x,y'
  '-y,-z,x'
  '-x,-y,z'
  'z,-x,-y'
  'y,-z,-x'
  'x,-y,-z'
  '1/2-x,1/2+z,1/2-y'
  '1/2-z,1/2+y,1/2-x'
  '1/2-y,1/2+x,1/2-z'
  '1/2-x,1/2-z,1/2+y'
  '1/2-z,1/2-y,1/2+x'
  '1/2-y,1/2-x,1/2+z'
  'z,x,y'
  'y,z,x'
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
Na1   0.19600   0.19600   0.19600   0.43000   0.06000
Na2   0.24500   0.24500   0.24500   0.15000   0.03500
Ca2   0.24500   0.24500   0.24500   0.15000   0.03500
Na3   0.31700   0.31700   0.31700   0.29000   0.06100
Al   0.25000   0.00000   0.50000   0.97000   0.03700
Si   0.25000   0.00000   0.50000   0.03000   0.03700
Si   0.25000   0.50000   0.00000   1.00000   0.03800
O1   0.13300   0.14400   0.55100   0.37000   0.04600
O2   0.15300   0.16100   0.47400   0.40000   0.05400
O3   0.59800   0.59800   0.59800   0.36000   0.20500
O4   0.40200   0.40200   0.40200   0.21000   0.14000
S   0.00000   0.00000   0.00000   1.00000   0.13700

