data_global _amcsd_formula_title 'Ni3 Ti' loop_ _publ_author_name 'Laves F' 'Wallbaum H' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 101 _journal_year 1939 _journal_page_first 78 _journal_page_last 93 _publ_section_title ; Die Kristallstruktur von Ni3 Ti und Si2 Ti _cod_database_code 1010452 ; _database_code_amcsd 0017372 _chemical_formula_sum 'Ti Ni3' _cell_length_a 5.096 _cell_length_b 5.096 _cell_length_c 8.304 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 186.757 _exptl_crystal_density_diffrn 7.965 _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 Ti1 0.00000 0.00000 0.00000 Ti2 0.33333 0.66667 0.25000 Ni1 0.50000 0.00000 0.00000 Ni2 -0.16667 -0.33330 0.25000