data_global _chemical_name_mineral 'Cranswickite' loop_ _publ_author_name 'Peterson R C' _journal_name_full 'American Mineralogist' _journal_volume 96 _journal_year 2011 _journal_page_first 869 _journal_page_last 877 _publ_section_title ; Cranswickite MgSO4*4H2O, a new mineral from Calingasta, Argentina ; _database_code_amcsd 0018329 _chemical_compound_source 'Calingasta, San Juan Province, Argentina' _chemical_formula_sum 'Mg S O8 H8' _cell_length_a 11.9236 _cell_length_b 5.1736 _cell_length_c 12.1958 _cell_angle_alpha 90 _cell_angle_beta 117.548 _cell_angle_gamma 90 _cell_volume 667.037 _exptl_crystal_density_diffrn 1.916 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Mg 0.00000 0.00000 0.50000 0.01507 S 0.00000 0.31310 0.75000 0.01988 O1 0.11650 0.51600 0.29250 0.02660 O2 0.98340 0.14240 0.64560 0.02913 Wat3 0.87590 0.70940 0.49760 0.01203 Wat4 0.85430 0.23470 0.37320 0.00469