data_global _chemical_name_mineral 'Carraraite' loop_ _publ_author_name 'Merlino S' 'Orlandi P' _journal_name_full 'American Mineralogist' _journal_volume 86 _journal_year 2001 _journal_page_first 1293 _journal_page_last 1301 _publ_section_title ; Carraraite and zaccagnaite, two new minerals from the Carrara marble quarries: their chemical compositions, physical properties and structural features ; _database_code_amcsd 0002736 _chemical_formula_sum 'Ca3 Ge O26 S2 C2 H30' _cell_length_a 11.056 _cell_length_b 11.056 _cell_length_c 10.629 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1125.172 _exptl_crystal_density_diffrn 2.146 _symmetry_space_group_name_H-M 'P 63/m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' 'y,-x+y,-z' '-y,x-y,z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x-y,x,-z' '-x+y,-x,z' '-y,x-y,1/2-z' 'y,-x+y,1/2+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 Ca 0.19760 -0.01220 0.25000 0.02300 Ge 0.00000 0.00000 0.00000 0.01800 O1 0.39850 0.23480 0.25000 0.04100 O2 0.25930 0.40540 0.25000 0.03700 O3 0.01530 0.34610 0.07050 0.04400 O4 0.13490 0.12690 0.11100 0.02300 S 0.33333 0.66667 -0.01100 0.02600 C 0.33333 0.66667 0.03790 0.03300 OA 0.33333 0.66667 -0.14730 0.03100 OB 0.19600 0.62240 0.03790 0.03900 H11 0.32600 0.25300 0.25000 0.03000 H12 0.50300 0.22900 0.25000 0.03000 H2 0.27600 0.42400 0.17800 0.03000 H31 -0.06800 0.29200 0.05500 0.03000 H32 0.10800 0.46500 0.07000 0.03000 H4 0.19100 0.17900 0.08400 0.03000