data_global _chemical_name_mineral 'Atheneite' loop_ _publ_author_name 'Bindi L' _journal_name_full 'The Canadian Mineralogist' _journal_volume 48 _journal_year 2010 _journal_page_first 1149 _journal_page_last 1155 _publ_section_title ; Atheneite, [Pd2][As0.75Hg0.25], from Itabira, Minas Gerais, Brazil: Crystal structure and revision of the chemical formula ; _database_code_amcsd 0017797 _chemical_compound_source 'Itabira, Minas Gerais, Brazil' _chemical_formula_sum 'Pd6 As2.196 Hg.804' _cell_length_a 6.813 _cell_length_b 6.813 _cell_length_c 3.4892 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 140.260 _exptl_crystal_density_diffrn 11.417 _symmetry_space_group_name_H-M 'P -6 2 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,z' '-x+y,-x,-z' 'y,x,-z' '-y,x-y,z' 'x-y,-y,z' 'x,y,-z' '-x,-x+y,-z' '-x+y,-x,z' 'y,x,z' '-y,x-y,-z' 'x-y,-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 Pd1 0.74240 0.00000 0.00000 1.00000 0.02030 Pd2 0.39840 0.00000 0.50000 1.00000 0.02800 As1 0.00000 0.00000 0.50000 1.00000 0.01800 As2 0.33333 0.66667 0.00000 0.59800 0.02900 Hg2 0.33333 0.66667 0.00000 0.40200 0.02900 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 Pd1 0.01260 0.02000 0.03100 0.00990 0.00000 0.00000 Pd2 0.02200 0.05800 0.01600 0.02900 0.00000 0.00000 As1 0.02200 0.02200 0.01100 0.01080 0.00000 0.00000 As2 0.00660 0.00660 0.07300 0.00330 0.00000 0.00000 Hg2 0.00660 0.00660 0.07300 0.00330 0.00000 0.00000