data_global _chemical_name_mineral 'Allactite' loop_ _publ_author_name 'Moore P B' _journal_name_full 'American Mineralogist' _journal_volume 53 _journal_year 1968 _journal_page_first 733 _journal_page_last 741 _publ_section_title ; Crystal chemistry of the basic manganese arsenate minerals: II. The crystal structure of allactite ; _database_code_amcsd 0000169 _chemical_formula_sum 'Mn7 As2 (O16 H8)' _cell_length_a 11.03 _cell_length_b 12.12 _cell_length_c 5.51 _cell_angle_alpha 90 _cell_angle_beta 114.07 _cell_angle_gamma 90 _cell_volume 672.548 _exptl_crystal_density_diffrn 3.943 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-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 Mn1 0.00000 0.00000 0.00000 0.01646 Mn2 0.21010 0.18010 -0.06040 0.01203 Mn3 -0.00670 0.43080 0.74040 0.01039 Mn4 -0.00010 0.28930 0.25160 0.01292 As -0.20790 0.07940 0.32620 0.00228 O-H1 0.11520 0.30650 0.67330 0.01355 O2 -0.12190 0.57170 0.82560 0.00709 O-H3 0.09380 0.15540 0.17260 0.01849 O4 -0.16600 0.20170 0.25250 0.01862 O-H5 -0.11530 0.43730 0.31160 0.01722 O-H6 0.12570 0.68310 0.17440 0.01165 O7 -0.14140 -0.01870 0.21310 0.01178 O8 0.33800 0.42590 0.66010 0.01722