data_global _amcsd_formula_title 'D6.4 La Ni5' loop_ _publ_author_name 'Lartigue C' 'Percheron-Guegan A' 'Achard J' 'Soubeyroux J' _journal_name_full 'Journal of the Less-Common Metals' _journal_volume 113 _journal_year 1985 _journal_page_first 127 _journal_page_last 148 _publ_section_title ; Hydrogen (deuterium) ordering in the beta-La Ni5 Dx>5 Phases: A Neutron Diffraction Study _cod_database_code 1008332 ; _database_code_amcsd 0016243 _chemical_formula_sum 'La Ni5 D6.39' _cell_length_a 5.396 _cell_length_b 5.396 _cell_length_c 8.571 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 216.125 _exptl_crystal_density_diffrn 6.841 _symmetry_space_group_name_H-M 'P 63 m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x-y,x,1/2+z' '-y,-x,z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x,-y,1/2+z' 'x,x-y,z' '-x+y,-x,z' 'y,x,1/2+z' 'y,-x+y,1/2+z' '-x+y,y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La1 0.00000 0.00000 0.00000 1.00000 Ni1 0.33333 0.66667 0.00000 1.00000 Ni2 0.33333 0.66667 0.50000 1.00000 Ni3 0.50000 0.00000 0.25000 1.00000 D1 0.33333 0.66667 0.82100 0.60000 D2 0.33333 0.66667 0.32100 0.15000 D3 0.13800 0.27600 0.25000 0.36000 D4 0.13800 0.27600 0.75000 0.09000 D5 0.17000 0.34000 0.30100 0.42000 D6 0.17000 0.34000 0.80100 0.11000 D7 0.47000 0.00000 0.05800 0.45000