# generated using pymatgen data_Mg13(NbH16)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.71452800 _cell_length_b 6.71452800 _cell_length_c 9.45081300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg13(NbH16)2 _chemical_formula_sum 'Mg13 Nb2 H32' _cell_volume 426.08882920 _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 Mg Mg0 1 0.00000000 0.50000000 0.50000000 1.0 Mg Mg1 1 0.50000000 0.00000000 0.00000000 1.0 Mg Mg2 1 0.74456300 0.25543700 0.24369200 1.0 Mg Mg3 1 0.25543700 0.74456300 0.75630800 1.0 Mg Mg4 1 0.74456300 0.74456300 0.24369200 1.0 Mg Mg5 1 0.25543700 0.25543700 0.75630800 1.0 Mg Mg6 1 0.50000000 0.00000000 0.50000000 1.0 Mg Mg7 1 0.00000000 0.50000000 0.00000000 1.0 Mg Mg8 1 0.25543700 0.74456300 0.24369200 1.0 Mg Mg9 1 0.74456300 0.25543700 0.75630800 1.0 Mg Mg10 1 0.74456300 0.74456300 0.75630800 1.0 Mg Mg11 1 0.25543700 0.25543700 0.24369200 1.0 Mg Mg12 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb13 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb14 1 0.50000000 0.50000000 0.50000000 1.0 H H15 1 0.74245200 0.00000000 0.63044300 1.0 H H16 1 0.22029200 0.50000000 0.13696700 1.0 H H17 1 0.00000000 0.25754800 0.36955700 1.0 H H18 1 0.50000000 0.77970800 0.86303300 1.0 H H19 1 0.00000000 0.74245200 0.36955700 1.0 H H20 1 0.50000000 0.22029200 0.86303300 1.0 H H21 1 0.25754800 0.00000000 0.63044300 1.0 H H22 1 0.77970800 0.50000000 0.13696700 1.0 H H23 1 0.25754800 0.00000000 0.36955700 1.0 H H24 1 0.77970800 0.50000000 0.86303300 1.0 H H25 1 0.00000000 0.74245200 0.63044300 1.0 H H26 1 0.50000000 0.22029200 0.13696700 1.0 H H27 1 0.00000000 0.25754800 0.63044300 1.0 H H28 1 0.50000000 0.77970800 0.13696700 1.0 H H29 1 0.74245200 0.00000000 0.36955700 1.0 H H30 1 0.22029200 0.50000000 0.86303300 1.0 H H31 1 0.23313800 0.00000000 0.88119900 1.0 H H32 1 0.73787900 0.50000000 0.38270700 1.0 H H33 1 0.50000000 0.26212100 0.61729300 1.0 H H34 1 0.00000000 0.76686200 0.11880100 1.0 H H35 1 0.50000000 0.73787900 0.61729300 1.0 H H36 1 0.00000000 0.23313800 0.11880100 1.0 H H37 1 0.76686200 0.00000000 0.88119900 1.0 H H38 1 0.26212100 0.50000000 0.38270700 1.0 H H39 1 0.76686200 0.00000000 0.11880100 1.0 H H40 1 0.26212100 0.50000000 0.61729300 1.0 H H41 1 0.50000000 0.73787900 0.38270700 1.0 H H42 1 0.00000000 0.23313800 0.88119900 1.0 H H43 1 0.50000000 0.26212100 0.38270700 1.0 H H44 1 0.00000000 0.76686200 0.88119900 1.0 H H45 1 0.23313800 0.00000000 0.11880100 1.0 H H46 1 0.73787900 0.50000000 0.61729300 1.0