# generated using pymatgen data_Sr7Nb6O21 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.60750869 _cell_length_b 16.60750869 _cell_length_c 16.60750871 _cell_angle_alpha 19.82498683 _cell_angle_beta 19.82498682 _cell_angle_gamma 19.82498671 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr7Nb6O21 _chemical_formula_sum 'Sr7 Nb6 O21' _cell_volume 460.82229265 _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 0.84726791 0.84726791 0.84726791 1.0 Sr Sr1 1 0.76773603 0.76773603 0.76773603 1.0 Sr Sr2 1 0.23226397 0.23226397 0.23226397 1.0 Sr Sr3 1 0.15273209 0.15273209 0.15273209 1.0 Sr Sr4 1 0.38402131 0.38402131 0.38402131 1.0 Sr Sr5 1 0.61597869 0.61597869 0.61597869 1.0 Sr Sr6 1 0.00000000 -0.00000000 0.00000000 1.0 Nb Nb7 1 0.92707893 0.92707893 0.92707893 1.0 Nb Nb8 1 0.45714269 0.45714269 0.45714269 1.0 Nb Nb9 1 0.30941935 0.30941935 0.30941935 1.0 Nb Nb10 1 0.07292107 0.07292107 0.07292107 1.0 Nb Nb11 1 0.69058065 0.69058065 0.69058065 1.0 Nb Nb12 1 0.54285731 0.54285731 0.54285731 1.0 O O13 1 0.75412526 0.30819809 0.21884200 1.0 O O14 1 0.70655575 0.14016315 0.57519471 1.0 O O15 1 0.57519471 0.70655575 0.14016315 1.0 O O16 1 0.62554287 0.14206794 0.09081623 1.0 O O17 1 0.14016315 0.57519471 0.70655575 1.0 O O18 1 0.24587474 0.69180191 0.78115800 1.0 O O19 1 0.78115800 0.24587474 0.69180191 1.0 O O20 1 0.30819809 0.21884200 0.75412526 1.0 O O21 1 0.90918377 0.37445713 0.85793206 1.0 O O22 1 0.29344425 0.85983685 0.42480529 1.0 O O23 1 0.50000000 0.50000000 0.00000000 1.0 O O24 1 0.14206794 0.09081623 0.62554287 1.0 O O25 1 0.42480529 0.29344425 0.85983685 1.0 O O26 1 0.37445713 0.85793206 0.90918377 1.0 O O27 1 0.21884300 0.75412526 0.30819809 1.0 O O28 1 0.85983685 0.42480529 0.29344425 1.0 O O29 1 0.09081623 0.62554287 0.14206794 1.0 O O30 1 0.85793206 0.90918377 0.37445713 1.0 O O31 1 0.69180191 0.78115800 0.24587474 1.0 O O32 1 0.50000000 -0.00000000 0.50000000 1.0 O O33 1 0.00000000 0.50000000 0.50000000 1.0