data_global _amcsd_formula_title 'Ni2.8(SeTe)' loop_ _publ_author_name 'Rost E' 'Vestersjo E' _journal_name_full 'Acta Chemica Scandinavica' _journal_volume 22 _journal_year 1968 _journal_page_first 2118 _journal_page_last 2134 _publ_section_title ; On the system Ni-Se-Te Note: Phase A, sample 34 ; _database_code_amcsd 0011903 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ni1.4 (Se.5 Te.5)' _cell_length_a 3.734 _cell_length_b 3.734 _cell_length_c 5.757 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 80.268 _exptl_crystal_density_diffrn 7.673 _symmetry_space_group_name_H-M 'P 4/n m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,z' 'y,x,-z' 'y,-x,-z' '1/2-y,1/2+x,z' 'x,-y,z' '1/2-x,1/2+y,-z' '1/2+x,1/2+y,-z' '-x,-y,z' '1/2+y,1/2+x,z' '-y,-x,-z' '-y,x,-z' '1/2+y,1/2-x,z' '-x,y,z' '1/2+x,1/2-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Ni 0.00000 0.00000 0.00000 1.00000 0.05319 Ni 0.00000 0.50000 0.67800 0.40000 0.04939 Se 0.00000 0.50000 0.28900 0.50000 0.02153 Te 0.00000 0.50000 0.28900 0.50000 0.02153