data_global _amcsd_formula_title 'H0.07 Nb Se2' loop_ _publ_author_name 'Kulikov L' 'Semjonov-Kobzar A' 'Antonova M' 'Chechovsky A' 'Akselrud L' 'Skolozdra R' 'Fruchart D' 'Soubeyroux J' _journal_name_full 'Journal of Alloys and Compounds' _journal_volume 244 _journal_year 1996 _journal_page_first 11 _journal_page_last 15 _publ_section_title ; X-ray and neutron diffraction studies of the formation and structure of hydrogen intercalated 2H - Nb Se2 phases _cod_database_code 1008742 ; _database_code_amcsd 0016623 _chemical_formula_sum 'Nb Se2 H.07' _cell_length_a 3.4471 _cell_length_b 3.4471 _cell_length_c 12.586 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 129.517 _exptl_crystal_density_diffrn 6.434 _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 _atom_site_occupancy Nb1 0.33333 0.66667 0.25000 1.00000 Se1 0.33333 0.66667 0.61640 1.00000 H1 0.00000 0.00000 0.25000 0.07000