data_global _amcsd_formula_title 'D5.97 La0.98 Mn1.13 Ni3.89' loop_ _publ_author_name 'Achard J' 'Givord F' 'Percheron-Guegan A' 'Soubeyroux J' _journal_name_full 'Journal de Physique' _journal_volume 40 _journal_year 1979 _journal_page_first 218 _journal_page_last 220 _publ_section_title ; Neutron study of Al or Mn substituted La Ni5 hydrogen sponges _cod_database_code 1009069 ; _database_code_amcsd 0016930 _chemical_formula_sum 'La.979 Ni3.891 Mn1.13 D5.971' _cell_length_a 5.437 _cell_length_b 5.437 _cell_length_c 4.332 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 110.902 _exptl_crystal_density_diffrn 6.565 _symmetry_space_group_name_H-M 'P 6/m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,z' 'x,x-y,-z' '-x+y,-x,-z' 'x-y,x,z' '-y,-x,z' 'y,x,-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,z' '-x+y,y,-z' 'x,y,-z' '-x,-y,z' 'x,x-y,z' '-x,-x+y,-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,z' '-y,-x,-z' '-y,x-y,-z' 'y,-x+y,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 La1 0.00000 0.00000 0.00000 0.97900 Ni1 0.00000 0.00000 0.00000 0.02100 Ni2 0.33333 0.66667 0.00000 0.88500 Mn1 0.33333 0.66667 0.00000 0.11500 Ni3 0.50000 0.00000 0.50000 0.70000 Mn2 0.50000 0.00000 0.50000 0.30000 D1 0.50000 0.00000 0.00000 0.19700 D2 0.33333 0.66667 0.38000 0.08200 D3 0.13300 0.26600 0.50000 0.32000 D4 0.45200 0.00000 0.11700 0.17600 D5 0.22700 0.45400 0.38000 0.08500