data_global _amcsd_formula_title 'B6 Th' loop_ _publ_author_name 'Blum P' 'Bertaut F' _journal_name_full 'Acta Crystallographica' _journal_volume 7 _journal_year 1954 _journal_page_first 81 _journal_page_last 86 _publ_section_title ; Contribution a l'etude des borures a teneur elevee en bore _cod_database_code 1009032 ; _database_code_amcsd 0016893 _chemical_formula_sum 'Th B6' _cell_length_a 4.1132 _cell_length_b 4.1132 _cell_length_c 4.1132 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 69.589 _exptl_crystal_density_diffrn 7.085 _symmetry_space_group_name_H-M 'P m 3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'z,-x,y' '-y,z,-x' 'x,-y,z' '-z,x,-y' 'y,-z,x' '-x,y,-z' 'x,-z,-y' '-z,y,x' 'y,-x,-z' '-x,z,y' 'z,-y,-x' '-y,x,z' 'x,z,y' '-z,-y,-x' 'y,x,z' '-x,-z,-y' 'z,y,x' '-y,-x,-z' 'z,x,-y' '-y,-z,x' 'x,y,-z' '-z,-x,y' 'y,z,-x' '-x,-y,z' '-z,x,y' 'y,-z,-x' '-x,y,z' 'z,-x,-y' '-y,z,x' 'x,-y,-z' '-x,z,-y' 'z,-y,x' '-y,x,-z' 'x,-z,y' '-z,y,-x' 'y,-x,z' '-x,-z,y' 'z,y,-x' '-y,-x,z' 'x,z,-y' '-z,-y,x' 'y,x,-z' '-z,-x,-y' 'y,z,x' '-x,-y,-z' 'z,x,y' '-y,-z,-x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Th1 0.50000 0.50000 0.50000 B1 0.29300 0.00000 0.00000