data_global _chemical_name_mineral 'Lautite' loop_ _publ_author_name 'Bindi L' 'Catelani T' 'Chelazzi L' 'Paola B' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 64 _journal_year 2008 _journal_page_first i22 _journal_page_last i22 _publ_section_title ; Reinvestigation of the crystal structure of lautite, CuAsS ; _database_code_amcsd 0010484 _chemical_compound_source 'Marienberg, Saxony, Germany' _chemical_formula_sum 'Cu As S' _cell_length_a 11.347 _cell_length_b 3.7533 _cell_length_c 5.453 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 232.236 _exptl_crystal_density_diffrn 4.877 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-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 Cu 0.17454 0.25000 0.06264 0.01650 As 0.01373 0.25000 0.35177 0.00894 S 0.16576 0.75000 0.81960 0.01000 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 Cu 0.01710 0.01680 0.01570 0.00000 -0.00150 0.00000 As 0.01050 0.00840 0.00800 0.00000 0.00083 0.00000 S 0.01080 0.01140 0.00790 0.00000 -0.00050 0.00000