data_global _chemical_name_mineral 'Cernyite' loop_ _publ_author_name 'Szymanski J T' _journal_name_full 'The Canadian Mineralogist' _journal_volume 16 _journal_year 1978 _journal_page_first 147 _journal_page_last 151 _publ_section_title ; The crystal structure of cernyite, Cu2CdSnS4, a cadmium analogue of stannite Note: z-coordinate for S atom changed in order to reproduce bond lengths. ; _database_code_amcsd 0005153 _chemical_formula_sum '(Cd.37 Zn.33 Fe.29 Mn.01) Sn Cu2 S4' _cell_length_a 5.487 _cell_length_b 5.487 _cell_length_c 10.848 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 326.603 _exptl_crystal_density_diffrn 4.616 _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 Cd 0.00000 0.00000 0.00000 0.37000 Zn 0.00000 0.00000 0.00000 0.33000 Fe 0.00000 0.00000 0.00000 0.29000 Mn 0.00000 0.00000 0.00000 0.01000 Sn 0.50000 0.50000 0.00000 1.00000 Cu 0.00000 0.50000 0.25000 1.00000 S 0.75000 0.75000 0.86840 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 Cd 0.01590 0.01590 0.01670 0.00000 0.00000 0.00000 Zn 0.01590 0.01590 0.01670 0.00000 0.00000 0.00000 Fe 0.01590 0.01590 0.01670 0.00000 0.00000 0.00000 Mn 0.01590 0.01590 0.01670 0.00000 0.00000 0.00000 Sn 0.01190 0.01190 0.00850 0.00000 0.00000 0.00000 Cu 0.02160 0.02160 0.01910 0.00000 0.00000 0.00000 S 0.01570 0.01570 0.01260 0.00170 0.00220 0.00220