data_global _amcsd_formula_title 'ZnTm2S4' loop_ _publ_author_name 'Lemoine P' 'Tomas A' 'Vovan T' 'Guittard M' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 46 _journal_year 1990 _journal_page_first 365 _journal_page_last 368 _publ_section_title ; Structure du sulfure de thulium et de zinc ZnTm2S4 ; _database_code_amcsd 0010108 _chemical_formula_sum 'Tm2 Zn S4' _cell_length_a 13.308 _cell_length_b 7.769 _cell_length_c 6.285 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 649.805 _exptl_crystal_density_diffrn 5.433 _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 Tm1 0.00000 0.00000 0.00000 0.00912 Tm2 0.26649 0.25000 0.00560 0.00798 Zn1 0.09260 0.25000 0.58590 0.01267 S1 0.09000 0.25000 0.22100 0.00798 S2 0.42970 0.25000 0.75500 0.00975 S3 0.33180 0.98710 0.25790 0.01089