# generated using pymatgen data_SrNbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72665767 _cell_length_b 5.73016776 _cell_length_c 8.13508265 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNbO3 _chemical_formula_sum 'Sr4 Nb4 O12' _cell_volume 266.95037110 _cell_formula_units_Z 4 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 0.00036389 0.98259447 0.75000000 1.0 Sr Sr1 1 0.49963611 0.48259447 0.75000000 1.0 Sr Sr2 1 0.50036389 0.51740553 0.25000000 1.0 Sr Sr3 1 0.99963611 0.01740553 0.25000000 1.0 Nb Nb4 1 0.50000000 0.00000000 0.50000000 1.0 Nb Nb5 1 0.00000000 0.50000000 -0.00000000 1.0 Nb Nb6 1 0.00000000 0.50000000 0.50000000 1.0 Nb Nb7 1 0.50000000 0.00000000 -0.00000000 1.0 O O8 1 0.71890513 0.28091086 0.48101357 1.0 O O9 1 0.78109487 0.78091086 0.01898643 1.0 O O10 1 0.21890513 0.21908914 0.51898643 1.0 O O11 1 0.28109487 0.71908914 0.98101357 1.0 O O12 1 0.28109487 0.71908914 0.51898643 1.0 O O13 1 0.21890513 0.21908914 0.98101357 1.0 O O14 1 0.78109487 0.78091086 0.48101357 1.0 O O15 1 0.71890513 0.28091086 0.01898643 1.0 O O16 1 0.03758898 0.49434682 0.25000000 1.0 O O17 1 0.46241102 0.99434682 0.25000000 1.0 O O18 1 0.53758898 0.00565318 0.75000000 1.0 O O19 1 0.96241102 0.50565318 0.75000000 1.0