data_global _amcsd_formula_title 'Fe2 H2.8 Lu' loop_ _publ_author_name 'Pontonnier L' 'Fruchart D' 'Soubeyroux J' 'Triantafillidis G' 'Berthier Y' _journal_name_full 'Journal of the Less-Common Metals' _journal_volume 172 _journal_year 1991 _journal_page_first 191 _journal_page_last 197 _publ_section_title ; Structural and magnetic behavour of Lu Fe2 Hx _cod_database_code 1008876 ; _database_code_amcsd 0016743 _chemical_formula_sum 'Lu2 Fe4 H5.565' _cell_length_a 10.980 _cell_length_b 10.980 _cell_length_c 13.089 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1366.601 _exptl_crystal_density_diffrn 8.441 _symmetry_space_group_name_H-M 'R -3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' 'y,x,-z' '2/3+y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-x,-x+y,-z' '2/3-x,1/3-x+y,1/3-z' '1/3-x,2/3-x+y,2/3-z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' 'x-y,-y,-z' '2/3+x-y,1/3-y,1/3-z' '1/3+x-y,2/3-y,2/3-z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Lu1 0.00000 0.00000 0.41000 1.00000 Lu2 0.16000 -0.16000 0.46000 1.00000 Fe1 0.00000 0.00000 0.50000 1.00000 Fe2 0.50000 0.00000 0.50000 1.00000 Fe3 0.80000 0.00000 0.00000 1.00000 Fe4 0.91000 -0.91000 0.33333 1.00000 H1 0.93000 0.07000 0.42000 1.00000 H2 0.77000 0.23000 0.33333 0.59000 H3 0.25000 0.03000 0.89000 1.00000 H4 0.14000 0.11000 0.48000 0.06000