data_global _chemical_name_mineral 'Hexatestibiopanickelite' loop_ _publ_author_name 'Foecker A J' 'Jeitschko W' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 162 _journal_year 2001 _journal_page_first 69 _journal_page_last 78 _publ_section_title ; The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) ; _database_code_amcsd 0014018 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ni.766 (Sb.5 Te.5)' _cell_length_a 3.9158 _cell_length_b 3.9158 _cell_length_c 5.2011 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 69.066 _exptl_crystal_density_diffrn 8.157 _symmetry_space_group_name_H-M 'P 63/m m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x,x-y,1/2-z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' '-y,-x,z' 'y,x,-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x+y,y,1/2-z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x,x-y,z' '-x,-x+y,-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x+y,y,z' 'x-y,-y,-z' '-x,-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 0.76600 0.00880 Sb 0.33333 0.66667 0.25000 0.50000 0.00920 Te 0.33333 0.66667 0.25000 0.50000 0.00920