data_global _chemical_name_mineral 'Pinchite' loop_ _publ_author_name 'Hawthorne F C' 'Cooper M A' 'Sen Gupta P K' _journal_name_full 'American Mineralogist' _journal_volume 79 _journal_year 1994 _journal_page_first 1199 _journal_page_last 1203 _publ_section_title ; The crystal structure of pinchite, Hg5Cl2O4 ; _database_code_amcsd 0001692 _chemical_formula_sum 'Hg5 Cl2 O4' _cell_length_a 11.619 _cell_length_b 6.105 _cell_length_c 11.710 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 830.637 _exptl_crystal_density_diffrn 9.099 _symmetry_space_group_name_H-M 'I b a m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'x,-y,1/2+z' '1/2+x,1/2-y,+z' '-x,y,1/2-z' '1/2-x,1/2+y,-z' '-x,y,1/2+z' '1/2-x,1/2+y,+z' 'x,-y,1/2-z' '1/2+x,1/2-y,-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' '-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 Hg1 0.14050 0.21450 0.00000 Hg2 0.16180 0.50000 0.25000 Hg3 0.00000 0.00000 0.25000 Cl 0.10820 0.27500 0.50000 O 0.14400 0.19900 0.17540 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 Hg1 0.01700 0.01710 0.01120 0.00010 0.00000 0.00000 Hg2 0.02220 0.01120 0.01530 0.00000 0.00000 -0.00250 Hg3 0.01170 0.01860 0.03790 0.00000 0.00000 0.00000 Cl 0.00880 0.02750 0.02720 0.00270 0.00000 0.00000 O 0.03000 0.01630 0.01140 -0.00660 -0.00370 0.00060