data_global _chemical_name_mineral 'Grumiplucite' loop_ _publ_author_name 'Mumme W G' 'Watts J A' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 36 _journal_year 1980 _journal_page_first 1300 _journal_page_last 1304 _publ_section_title ; HgBi2S4: Crystal structure and relationship with the pavonite homologous series ; _database_code_amcsd 0009710 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Hg Bi2 S4' _cell_length_a 14.17 _cell_length_b 4.06 _cell_length_c 13.99 _cell_angle_alpha 90 _cell_angle_beta 118.27 _cell_angle_gamma 90 _cell_volume 708.850 _exptl_crystal_density_diffrn 6.998 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Hg1 0.00000 0.00000 0.00000 0.02913 Hg2 0.00000 0.00000 0.50000 0.03040 Bi1 0.22600 0.00000 0.36790 0.02280 Bi2 0.34990 0.00000 0.13790 0.02153 S1 0.18590 0.50000 0.06480 0.01646 S2 0.49910 0.50000 0.17010 0.01013 S3 0.12440 0.50000 0.42800 0.01267 S4 0.34320 0.50000 0.32430 0.03040