data_global _chemical_name_mineral 'Heazlewoodite' loop_ _publ_author_name 'Parise J B' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 36 _journal_year 1980 _journal_page_first 1179 _journal_page_last 1180 _publ_section_title ; Structure of hazelwoodite (Ni3S2) ; _database_code_amcsd 0009709 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ni3 S2' _cell_length_a 4.0718 _cell_length_b 4.0718 _cell_length_c 4.0718 _cell_angle_alpha 89.459 _cell_angle_beta 89.459 _cell_angle_gamma 89.459 _cell_volume 67.500 _exptl_crystal_density_diffrn 5.909 _symmetry_space_group_name_H-M 'R 3 2' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-z,-y' 'z,x,y' '-y,-x,-z' 'y,z,x' '-z,-y,-x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ni 0.50000 0.24490 -0.24490 S 0.25210 0.25210 0.25210 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 Ni 0.01360 0.01041 0.01041 0.00017 0.00017 0.00034 S 0.01159 0.01159 0.01159 0.00067 0.00067 0.00067