data_global _chemical_name_mineral 'Laurelite' loop_ _publ_author_name 'Merlino S' 'Pasero M' 'Perchiazzi N' 'Kampf A R' _journal_name_full 'American Mineralogist' _journal_volume 81 _journal_year 1996 _journal_page_first 1277 _journal_page_last 1281 _publ_section_title ; Laurelite: Its crystal structure and relationship to alpha-PbF2 ; _database_code_amcsd 0001838 _chemical_formula_sum 'Pb3.5 Cl F6' _cell_length_a 10.267 _cell_length_b 10.267 _cell_length_c 3.9844 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 363.731 _exptl_crystal_density_diffrn 7.986 _symmetry_space_group_name_H-M 'P -6' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x+y,-x,-z' '-y,x-y,z' 'x,y,-z' '-x+y,-x,z' '-y,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 Pb1 0.58450 0.69340 0.50000 0.95500 0.01640 Pb1* 0.57200 0.71000 0.00000 0.04500 0.05100 Pb2 0.88550 0.59840 0.00000 0.95500 0.01620 Pb2* 0.85300 0.56800 0.50000 0.04500 0.00200 Pb3 0.00000 0.00000 0.50000 0.95500 0.02910 Pb3* 0.00000 0.00000 0.00000 0.04500 0.04000 Cl1 0.33333 0.66667 0.00000 1.00000 0.02200 Cl2 0.66667 0.33333 0.50000 1.00000 0.02200 F1 0.04800 0.62000 0.50000 1.00000 0.01800 F2 0.60900 0.57000 0.00000 1.00000 0.02400 F3 0.07900 0.86800 0.00000 1.00000 0.03900 F4 0.83400 0.72900 0.50000 1.00000 0.02100