data_global _amcsd_formula_title 'Al1.06 D5.11 La0.98 Ni3.96' 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 1009070 ; _database_code_amcsd 0016931 _chemical_formula_sum 'La.976 Ni3.965 Al1.059 D5.103' _cell_length_a 5.310 _cell_length_b 5.310 _cell_length_c 4.249 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 103.754 _exptl_crystal_density_diffrn 6.516 _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 0.97600 Ni1 0.00000 0.00000 0.00000 0.02400 Ni2 0.33333 0.66667 0.00000 0.94000 Al1 0.33333 0.66667 0.00000 0.06000 Ni3 0.50000 0.00000 0.50000 0.68700 Al2 0.50000 0.00000 0.50000 0.31300 D1 0.50000 0.00000 0.00000 0.04300 D2 0.13200 0.26400 0.50000 0.31300 D3 0.43800 0.00000 0.11200 0.22000 D4 0.23300 0.46600 0.34000 0.03800