data_global _chemical_name_mineral 'Genthelvite' loop_ _publ_author_name 'Hassan I' 'Grundy H D' _journal_name_full 'American Mineralogist' _journal_volume 70 _journal_year 1985 _journal_page_first 186 _journal_page_last 192 _publ_section_title ; The crystal structures of helvite group minerals, (MnFeZn)8(Be6Si6O24)S2 ; _database_code_amcsd 0000969 _chemical_formula_sum 'Zn4 O12 Be3 Si3 S' _cell_length_a 8.109 _cell_length_b 8.109 _cell_length_c 8.109 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 533.214 _exptl_crystal_density_diffrn 3.718 _symmetry_space_group_name_H-M 'P -4 3 n' loop_ _space_group_symop_operation_xyz 'x,y,z' '-z,x,-y' '-y,z,-x' '-x,y,-z' '1/2+x,1/2-z,1/2-y' '1/2+z,1/2-y,1/2-x' '1/2+y,1/2-x,1/2-z' '1/2+x,1/2+z,1/2+y' '1/2+z,1/2+y,1/2+x' '1/2+y,1/2+x,1/2+z' '-z,-x,y' '-y,-z,x' '-x,-y,z' 'z,-x,-y' 'y,-z,-x' 'x,-y,-z' '1/2-x,1/2+z,1/2-y' '1/2-z,1/2+y,1/2-x' '1/2-y,1/2+x,1/2-z' '1/2-x,1/2-z,1/2+y' '1/2-z,1/2-y,1/2+x' '1/2-y,1/2-x,1/2+z' 'z,x,y' 'y,z,x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Zn 0.16680 0.16680 0.16680 O 0.13770 0.13810 0.40600 Be 0.25000 0.00000 0.50000 Si 0.25000 0.50000 0.00000 S 0.00000 0.00000 0.00000 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 Zn 0.00590 0.00590 0.00590 0.00030 0.00030 0.00030 O 0.00670 0.00770 0.00380 0.00270 -0.00150 -0.00240 Be 0.00240 0.00790 0.00790 0.00000 0.00000 0.00000 Si 0.00330 0.00400 0.00400 0.00000 0.00000 0.00000 S 0.00650 0.00650 0.00650 0.00000 0.00000 0.00000