data_global _chemical_name_mineral 'Stannite' loop_ _publ_author_name 'Hall S R' 'Szymanski J T' 'Stewart J M' _journal_name_full 'The Canadian Mineralogist' _journal_volume 16 _journal_year 1978 _journal_page_first 131 _journal_page_last 137 _publ_section_title ; Kesterite, Cu2(Zn,Fe)SnS4, and stannite, Cu2(Fe,Zn)SnS4, structurally similar but distinct minerals ; _database_code_amcsd 0005152 _chemical_formula_sum '(Fe.8 Zn.18 Cd.02) Sn Cu2 S4' _cell_length_a 5.449 _cell_length_b 5.449 _cell_length_c 10.757 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 319.393 _exptl_crystal_density_diffrn 4.500 _symmetry_space_group_name_H-M 'I -4 2 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-y,-x,z' '1/2-y,1/2-x,1/2+z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-x,y,-z' '1/2-x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' 'y,x,z' '1/2+y,1/2+x,1/2+z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe 0.00000 0.00000 0.00000 0.80000 Zn 0.00000 0.00000 0.00000 0.18000 Cd 0.00000 0.00000 0.00000 0.02000 Sn 0.50000 0.50000 0.00000 1.00000 Cu 0.00000 0.50000 0.25000 1.00000 S 0.75510 0.75510 0.87020 1.00000 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 Fe 0.01050 0.01050 0.01390 0.00000 0.00000 0.00000 Zn 0.01050 0.01050 0.01390 0.00000 0.00000 0.00000 Cd 0.01050 0.01050 0.01390 0.00000 0.00000 0.00000 Sn 0.00950 0.00950 0.01070 0.00000 0.00000 0.00000 Cu 0.01900 0.01900 0.02090 0.00000 0.00000 0.00000 S 0.01180 0.01180 0.01170 -0.00040 0.00030 0.00030