data_global _chemical_name_mineral 'Despujolsite' loop_ _publ_author_name 'Gaudefroy C' 'Granger M M' 'Permingeat F' 'Protas J' _journal_name_full 'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie' _journal_volume 91 _journal_year 1968 _journal_page_first 43 _journal_page_last 50 _publ_section_title ; La despujolsite, une nouvelle espece minerale ; _database_code_amcsd 0012127 _chemical_compound_source 'Tachgagalt, Morocco' _chemical_formula_sum 'Ca3 Mn S2 O17 H12' _cell_length_a 8.56 _cell_length_b 8.56 _cell_length_c 10.76 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 682.795 _exptl_crystal_density_diffrn 2.546 _symmetry_space_group_name_H-M 'P -6 2 c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' '-x+y,-x,1/2-z' 'y,x,-z' '-y,x-y,z' 'x-y,-y,1/2+z' 'x,y,1/2-z' '-x,-x+y,-z' '-x+y,-x,z' 'y,x,1/2+z' '-y,x-y,1/2-z' 'x-y,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ca 0.30222 0.14553 0.25000 0.01113 Mn 0.00000 0.00000 0.00000 0.00812 S 0.66667 0.33333 0.02513 0.01127 O1 0.66667 0.33333 -0.11152 0.02558 O-H3 0.10255 0.20292 0.11114 0.01469 Wat2 0.49811 -0.01992 0.25000 0.02888 O4 0.47747 0.25376 0.06805 0.01726