data_global _chemical_name_mineral 'Pinalite' loop_ _publ_author_name 'Grice J D' 'Dunn P J' _journal_name_full 'American Mineralogist' _journal_volume 85 _journal_year 2000 _journal_page_first 806 _journal_page_last 809 _publ_section_title ; Crystal-structure determination of pinalite ; _database_code_amcsd 0002460 _chemical_formula_sum 'Pb3 W O5 Cl2' _cell_length_a 11.073 _cell_length_b 13.067 _cell_length_c 5.617 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 812.729 _exptl_crystal_density_diffrn 7.816 _symmetry_space_group_name_H-M 'A m a m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,-y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,y,-z' '1/2-x,1/2+y,1/2-z' 'x,y,-z' 'x,1/2+y,1/2-z' '-x,-y,z' '-x,1/2-y,1/2+z' '1/2-x,y,z' '1/2-x,1/2+y,1/2+z' '1/2+x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' '-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Pb1 0.46780 0.34890 0.00000 Pb2 0.75000 0.40020 -0.50000 W 0.75000 0.23500 0.00000 O1 0.63200 0.27000 0.23200 O2 0.75000 0.10500 0.00000 Cl1 0.50000 0.50000 -0.50000 Cl2 0.75000 0.47500 0.00000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pb1 0.11616 0.17473 0.02094 0.01173 0.00000 0.00000 Pb2 0.13293 0.18684 0.01135 0.00000 0.00000 0.00000 W 0.10187 0.16435 0.01087 0.00000 0.00000 0.00000 O1 0.11491 0.20328 0.01598 -0.03225 -0.00473 0.00818 O2 0.20125 0.34341 0.05914 0.00000 0.00000 0.00000 Cl1 0.08758 0.41002 0.06841 0.04471 0.00000 0.00000 Cl2 0.15591 0.32784 0.02477 0.00000 0.00000 0.00000