data_global _chemical_name_mineral 'Calaverite' loop_ _publ_author_name 'Reithmayer K' 'Steurer W' 'Schulz H' 'de Boer J L' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 49 _journal_year 1993 _journal_page_first 6 _journal_page_last 11 _publ_section_title ; High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 5.13 GPa ; _database_code_amcsd 0009869 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Au Te2' _cell_length_a 4.078 _cell_length_b 4.078 _cell_length_c 5.000 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 72.010 _exptl_crystal_density_diffrn 10.427 _symmetry_space_group_name_H-M 'P -3 m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' 'y,-x+y,-z' '-x,-x+y,-z' '-x+y,-x,z' '-x+y,y,z' '-x,-y,-z' 'y,x,-z' '-y,x-y,z' 'x,x-y,z' 'x-y,x,-z' 'x-y,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Au 0.00000 0.00000 0.00000 Te 0.66667 0.33333 0.29320 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 Au 0.01170 0.01170 0.00740 0.00590 0.00000 0.00000 Te 0.01050 0.01050 0.01040 0.00520 0.00000 0.00000