data_global _chemical_name_mineral 'Orthogersdorffite' loop_ _publ_author_name 'Bayliss P' _journal_name_full 'American Mineralogist' _journal_volume 67 _journal_year 1982 _journal_page_first 1058 _journal_page_last 1064 _publ_section_title ; A further crystal structure refinement of gersdorffite Sample: M15861 ; _database_code_amcsd 0000884 _chemical_compound_source 'Garson mine, Sudbury, Ontario, Canada' _chemical_formula_sum '(Fe.19 Co.27 Ni.54) (As1.04 S.96)' _cell_length_a 5.622 _cell_length_b 5.622 _cell_length_c 5.622 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 177.694 _exptl_crystal_density_diffrn 6.239 _symmetry_space_group_name_H-M 'P c a 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,-y,z' '1/2-x,y,1/2+z' '-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe 0.00000 0.25000 0.00000 0.19000 Co 0.00000 0.25000 0.00000 0.27000 Ni 0.00000 0.25000 0.00000 0.54000 As1 0.37500 0.62500 0.37500 0.52000 S1 0.37500 0.62500 0.37500 0.48000 As2 0.62500 0.87500 0.62500 0.52000 S2 0.62500 0.87500 0.62500 0.48000