data_global _amcsd_formula_title 'Co Nb Te2' loop_ _publ_author_name 'Li J' 'Badding M' 'DiSalvo F' _journal_name_full 'Inorganic Chemistry' _journal_volume 31 _journal_year 1992 _journal_page_first 1050 _journal_page_last 1054 _publ_section_title ; New layered ternary niobium tellurides: synthesis, structure and properties of NbMTe2 (M=Fe, Co) _cod_database_code 1005003 ; _database_code_amcsd 0012701 _chemical_formula_sum 'Nb Co Te2' _cell_length_a 7.840 _cell_length_b 14.431 _cell_length_c 6.237 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 705.648 _exptl_crystal_density_diffrn 7.663 _symmetry_space_group_name_H-M 'C m c a' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,1/2-y,1/2+z' '1/2+x,-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,1/2+y,1/2-z' '1/2+x,+y,1/2-z' '-x,1/2-y,1/2+z' '1/2-x,-y,1/2+z' '-x,-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 Nb1 0.29680 0.50000 0.00000 Co1 0.00000 0.44130 0.14730 Te1 0.25000 0.33930 0.25000 Te2 0.50000 0.61270 0.25180 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 Nb1 0.01300 0.02100 0.01700 0.00000 0.00000 0.00600 Co1 0.01200 0.01600 0.01600 0.00000 0.00000 0.00000 Te1 0.01300 0.01500 0.02000 0.00000 -0.00300 0.00000 Te2 0.02500 0.02100 0.01700 0.00000 0.00000 0.00600