data_global _chemical_name_mineral 'Pyrite' loop_ _publ_author_name 'Rieder M' 'Crelling J C' 'Sustai O' 'Drabek M' 'Weiss Z' 'Klementova M' _journal_name_full 'International Journal of Coal Geology' _journal_volume 71 _journal_year 2007 _journal_page_first 115 _journal_page_last 121 _publ_section_title ; Arsenic in iron disulfides in a brown coal from the North Bohemian Basin, Czech Republic Sample: natural As-pyrite ; _database_code_amcsd 0012730 _chemical_compound_source 'Dul CSA mine, North Bohemian Basin, Czech Republic' _chemical_formula_sum 'Fe (S1.46 As.54)' _cell_length_a 5.429 _cell_length_b 5.429 _cell_length_c 5.429 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 160.015 _exptl_crystal_density_diffrn 5.941 _symmetry_space_group_name_H-M 'P a 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+z,x,1/2-y' 'z,1/2-x,1/2+y' '1/2-z,1/2+x,y' '-z,-x,-y' '1/2+y,1/2-z,-x' '1/2-y,-z,1/2+x' '-y,1/2+z,1/2-x' 'y,z,x' 'x,1/2-y,1/2+z' '1/2-x,1/2+y,z' '1/2+x,y,1/2-z' '-x,-y,-z' '1/2-z,-x,1/2+y' '-z,1/2+x,1/2-y' '1/2+z,1/2-x,-y' 'z,x,y' '1/2-y,1/2+z,x' '1/2+y,z,1/2-x' 'y,1/2-z,1/2+x' '-y,-z,-x' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+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 Fe 0.00000 0.00000 0.00000 1.00000 0.02520 S 0.38500 0.38500 0.38500 0.73000 0.01229 As 0.38500 0.38500 0.38500 0.27000 0.01229