# generated using pymatgen data_Sr6Nb7O21 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00910254 _cell_length_b 9.04917501 _cell_length_c 9.04796925 _cell_angle_alpha 113.56939261 _cell_angle_beta 104.93282877 _cell_angle_gamma 104.97752634 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr6Nb7O21 _chemical_formula_sum 'Sr6 Nb7 O21' _cell_volume 463.97926188 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 0.56234133 0.28108367 0.42253964 1.0 Sr Sr1 1 0.13991444 0.57699078 0.85763591 1.0 Sr Sr2 1 0.71578800 0.85836705 0.28037871 1.0 Sr Sr3 1 0.28137858 0.14151640 0.71879344 1.0 Sr Sr4 1 0.85820868 0.42334114 0.14174193 1.0 Sr Sr5 1 0.43422613 0.71887885 0.57704420 1.0 Nb Nb6 1 0.06859538 0.28380875 0.42573581 1.0 Nb Nb7 1 0.64268788 0.57428217 0.85754505 1.0 Nb Nb8 1 0.21231858 0.85793912 0.28337010 1.0 Nb Nb9 1 0.78506473 0.14256187 0.71636880 1.0 Nb Nb10 1 0.35473683 0.42597616 0.14189647 1.0 Nb Nb11 1 0.92904074 0.71677581 0.57380944 1.0 Nb Nb12 1 0.49860215 0.00011346 0.99970301 1.0 O O13 1 0.55904300 0.78010275 0.92728568 1.0 O O14 1 0.77937588 0.14737470 0.21985921 1.0 O O15 1 0.14254947 0.07219289 0.36934890 1.0 O O16 1 0.35327836 0.42901672 0.64442470 1.0 O O17 1 0.70752803 0.35508796 0.78514193 1.0 O O18 1 0.77530818 0.63101127 0.70325488 1.0 O O19 1 0.92532227 0.70409802 0.07290746 1.0 O O20 1 0.28928154 0.64512454 0.21576281 1.0 O O21 1 0.36441743 0.92836929 0.14707316 1.0 O O22 1 0.49927916 0.00084533 0.49935414 1.0 O O23 1 0.92464955 0.21922085 0.57269299 1.0 O O24 1 0.85445465 0.92820071 0.63000298 1.0 O O25 1 0.07102375 0.29576291 0.92780498 1.0 O O26 1 0.49726293 0.50038481 0.99916495 1.0 O O27 1 0.43907616 0.22058340 0.07164305 1.0 O O28 1 0.64509945 0.57179819 0.35430832 1.0 O O29 1 0.99968220 0.50071914 0.49920341 1.0 O O30 1 0.07486901 0.78385921 0.42911149 1.0 O O31 1 0.21752912 0.85298714 0.78028630 1.0 O O32 1 0.63181409 0.07065705 0.85126171 1.0 O O33 1 0.22317433 0.36809091 0.29597246 1.0