# generated using pymatgen data_SrNb2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12647151 _cell_length_b 5.92015555 _cell_length_c 12.58161869 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNb2O4 _chemical_formula_sum 'Sr4 Nb8 O16' _cell_volume 381.84594667 _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 0.30272454 0.25000000 0.00351922 1.0 Sr Sr1 1 0.30272454 0.75000000 0.49648078 1.0 Sr Sr2 1 0.69727546 0.25000000 0.50351922 1.0 Sr Sr3 1 0.69727546 0.75000000 0.99648078 1.0 Nb Nb4 1 0.15580811 -0.00000000 0.25000000 1.0 Nb Nb5 1 0.15580811 0.50000000 0.25000000 1.0 Nb Nb6 1 0.34156695 0.25000000 0.74718231 1.0 Nb Nb7 1 0.34156695 0.75000000 0.75281769 1.0 Nb Nb8 1 0.65843305 0.25000000 0.24718231 1.0 Nb Nb9 1 0.65843305 0.75000000 0.25281769 1.0 Nb Nb10 1 0.84419189 -0.00000000 0.75000000 1.0 Nb Nb11 1 0.84419189 0.50000000 0.75000000 1.0 O O12 1 0.01119503 0.25000000 0.64528913 1.0 O O13 1 0.01119503 0.75000000 0.85471087 1.0 O O14 1 0.01032872 0.25000000 0.85168253 1.0 O O15 1 0.01032872 0.75000000 0.64831747 1.0 O O16 1 0.49194543 0.50440216 0.14359675 1.0 O O17 1 0.49194543 0.99559784 0.14359675 1.0 O O18 1 0.49194543 0.00440216 0.35640325 1.0 O O19 1 0.49194543 0.49559784 0.35640325 1.0 O O20 1 0.50805457 0.50440216 0.64359675 1.0 O O21 1 0.50805457 0.00440216 0.85640325 1.0 O O22 1 0.50805457 0.49559784 0.85640325 1.0 O O23 1 0.50805457 0.99559784 0.64359675 1.0 O O24 1 0.98967128 0.75000000 0.14831747 1.0 O O25 1 0.98967128 0.25000000 0.35168253 1.0 O O26 1 0.98880497 0.25000000 0.14528913 1.0 O O27 1 0.98880497 0.75000000 0.35471087 1.0