data_global _chemical_name_mineral 'Graphite' loop_ _publ_author_name 'Trucano P' 'Chen R' _journal_name_full 'Nature' _journal_volume 258 _journal_year 1975 _journal_page_first 136 _journal_page_last 137 _publ_section_title ; Structure of graphite by neutron diffraction Note: natural crystals ; _database_code_amcsd 0014675 _chemical_compound_source 'undefined' _chemical_formula_sum 'C' _cell_length_a 2.464 _cell_length_b 2.464 _cell_length_c 6.711 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 35.286 _exptl_crystal_density_diffrn 2.261 _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 C1 0.00000 0.00000 0.25000 C2 0.33333 0.66667 0.25000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 C1 0.00310 0.00310 0.01600 0.00155 0.00000 0.00000 C2 0.00310 0.00310 0.01700 0.00155 0.00000 0.00000