data_global _chemical_name_mineral 'Clerite' loop_ _publ_author_name 'Bente K' 'Edenharter A' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 185 _journal_year 1989 _journal_page_first 31 _journal_page_last 33 _publ_section_title ; Rontgenographische strukturanalyse von MnSb2S4 und strukturverfeinerung von berthierit, FeSb2S4 ; _database_code_amcsd 0010988 _chemical_formula_sum 'Mn Sb2 S4' _cell_length_a 11.459 _cell_length_b 14.351 _cell_length_c 3.823 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 628.685 _exptl_crystal_density_diffrn 4.508 _symmetry_space_group_name_H-M 'P n a m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-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 Mn 0.31600 0.33300 0.25000 Sb1 0.14390 0.05900 0.25000 Sb2 0.04110 0.38590 0.75000 S1 0.19000 0.26660 0.75000 S2 0.42170 0.17770 0.25000 S3 0.22270 0.49450 0.25000 S4 0.45480 0.40480 0.75000 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 Mn 0.01597 0.01461 0.01614 0.00083 0.00000 0.00000 Sb1 0.02062 0.01669 0.01725 0.00083 0.00000 0.00000 Sb2 0.01597 0.01669 0.01333 0.00017 0.00000 0.00000 S1 0.01397 0.01565 0.01829 0.00167 0.00000 0.00000 S2 0.01463 0.01878 0.01251 0.00167 0.00000 0.00000 S3 0.01397 0.01356 0.01207 0.00083 0.00000 0.00000 S4 0.00998 0.01356 0.01281 0.00083 0.00000 0.00000