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 ; _database_code_amcsd 0010010 _chemical_compound_source '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_ _space_group_symop_operation_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