data_global _chemical_name_mineral 'Parkerite' loop_ _publ_author_name 'Fleet M E' _journal_name_full 'American Mineralogist' _journal_volume 58 _journal_year 1973 _journal_page_first 435 _journal_page_last 439 _publ_section_title ; The crystal structure of parkerite (Ni3Bi2S2) ; _database_code_amcsd 318 _chemical_formula_sum 'Ni1.5 Bi S' _cell_length_a 5.545 _cell_length_b 5.731 _cell_length_c 4.052 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 128.766 _exptl_crystal_density_diffrn 8.488 _symmetry_space_group_name_H-M 'P m a m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,-z' '-x,-y,z' '1/2-x,y,z' '1/2+x,-y,-z' '1/2+x,-y,z' '1/2-x,y,-z' '-x,-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 Ni1 0.0 0.0 0.5 1.0 0.01165 Ni2 0.25 0.204 0.0 0.5 0.01165 Bi 0.25 0.7423 0.0 1.0 2.0 S 0.25 0.256 0.5 1.0 2.0 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 Bi 0.01 0.01431 0.01317 0.0 0.0 0.0 S 0.0152 0.09626 0.05193 0.0 0.0 0.0