data_global _amcsd_formula_title 'F31 Na7 Zr6' loop_ _publ_author_name 'Burns J' 'Ellison R' 'Levy H' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 24 _journal_year 1968 _journal_page_first 230 _journal_page_last 237 _publ_section_title ; The crystal structure of Na7 Zr6 F31 _cod_database_code 1008081 ; _database_code_amcsd 0016023 _chemical_formula_sum 'Na7 Zr6 F31' _cell_length_a 13.807 _cell_length_b 13.807 _cell_length_c 9.429 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1556.664 _exptl_crystal_density_diffrn 4.151 _symmetry_space_group_name_H-M 'R -3' 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' '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 Na1 0.07920 0.30400 0.49260 1.00000 Na2 0.00000 0.00000 0.50000 1.00000 Zr1 0.18955 0.05153 0.17903 1.00000 F1 0.35580 0.11140 0.09170 1.00000 F2 0.18350 0.05540 0.39440 1.00000 F3 0.27350 0.37060 0.42430 1.00000 F4 0.20880 0.15850 0.00170 1.00000 F5 0.24320 0.54170 0.44160 1.00000 F6 0.00000 0.00000 0.05260 0.50000