data_global _chemical_name_mineral 'Enargite' loop_ _publ_author_name 'Pfitzner A' 'Bernert T' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 219 _journal_year 2004 _journal_page_first 20 _journal_page_last 26 _publ_section_title ; The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures Sample: Cu3AsS4 ; _database_code_amcsd 0011108 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'As Cu3 S4' _cell_length_a 7.399 _cell_length_b 6.428 _cell_length_c 6.145 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 292.261 _exptl_crystal_density_diffrn 4.475 _symmetry_space_group_name_H-M 'P m n 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,-y,1/2+z' '-x,y,z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z As 0.00000 0.17260 0.00140 Cu1 0.00000 0.84670 0.50160 Cu2 0.75230 0.67450 0.00970 S1 0.00000 0.17770 0.35890 S2 0.00000 0.85170 0.87630 S3 0.74360 0.66480 0.38110 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 As 0.01030 0.00780 0.00950 0.00000 0.00000 -0.00010 Cu1 0.02220 0.01950 0.01870 0.00000 0.00000 0.00250 Cu2 0.02130 0.01830 0.01970 0.00130 -0.00080 0.00110 S1 0.01300 0.01270 0.00700 0.00000 0.00000 0.00100 S2 0.01340 0.00830 0.01330 0.00000 0.00000 -0.00010 S3 0.01100 0.01050 0.01450 0.00170 0.00080 -0.00040