data_global _chemical_name_mineral 'Cubanite' loop_ _publ_author_name 'McCammon C A' 'Zhang J' 'Hazen R M' 'Finger L W' _journal_name_full 'American Mineralogist' _journal_volume 77 _journal_year 1992 _journal_page_first 937 _journal_page_last 944 _publ_section_title ; High-pressure crystal chemistry of cubanite, CuFe2S3 P = 0 GPa, in the cell ; _database_code_amcsd 0001534 _chemical_formula_sum 'Cu Fe2 S3' _cell_length_a 6.455 _cell_length_b 11.102 _cell_length_c 6.226 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 446.176 _exptl_crystal_density_diffrn 4.041 _symmetry_space_group_name_H-M 'P c m n' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2+x,1/2+y,1/2-z' '1/2-x,1/2-y,1/2+z' '1/2-x,y,1/2+z' '1/2+x,-y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Cu 0.58270 0.25000 0.12090 0.02406 Fe 0.41240 0.41240 0.63770 0.01596 S1 0.59600 0.25000 0.75950 0.01963 S2 0.41800 0.41580 0.26570 0.01798