data_global _chemical_name_mineral 'Khanneshite' loop_ _publ_author_name 'Belovitskaya Y V' 'Pekov I V' 'Gobechiya E R' 'Kabalov Y K' 'Schneider J' _journal_name_full 'Crystallography Reports' _journal_volume 47 _journal_year 2002 _journal_page_first 39 _journal_page_last 42 _publ_section_title ; Determination of the crystal structure of khanneshite by the Rietveld method ; _database_code_amcsd 0012375 _chemical_compound_source 'Khibiny massif, Kola Peninsula, Russia' _chemical_formula_sum 'Na2.58 Ca.87 Sr.63 Ba1.08 Ce.48 La.18 Nd.15 Pr.03 C5 O15' _cell_length_a 10.5790 _cell_length_b 10.5790 _cell_length_c 6.5446 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 634.312 _exptl_crystal_density_diffrn 3.748 _symmetry_space_group_name_H-M 'P 63 m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x-y,x,1/2+z' '-y,-x,z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x,-y,1/2+z' 'x,x-y,z' '-x+y,-x,z' 'y,x,1/2+z' 'y,-x+y,1/2+z' '-x+y,y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv NaA 0.52460 0.47540 0.30800 0.86000 0.01393 CaA 0.52460 0.47540 0.30800 0.14000 0.01393 SrB 0.84030 0.15970 0.00000 0.21000 0.01077 BaB 0.84030 0.15970 0.00000 0.36000 0.01077 CeB 0.84030 0.15970 0.00000 0.16000 0.01077 LaB 0.84030 0.15970 0.00000 0.06000 0.01077 NdB 0.84030 0.15970 0.00000 0.05000 0.01077 PrB 0.84030 0.15970 0.00000 0.01000 0.01077 CaB 0.84030 0.15970 0.00000 0.15000 0.01077 C1 0.79900 0.20100 0.54100 1.00000 0.01773 C2 0.00000 0.00000 0.83800 1.00000 0.01267 C3 0.33333 0.66667 0.50000 1.00000 0.03800 O1 0.37900 0.08500 0.62900 1.00000 0.02026 O2 0.92800 0.07200 0.34400 1.00000 0.04686 O3 0.40500 0.59500 0.48600 1.00000 0.02406 O4 0.77400 0.22600 0.35900 1.00000 0.03040