# generated using pymatgen data_Mg6ZrNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98314300 _cell_length_b 6.17459600 _cell_length_c 11.28863200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6ZrNb _chemical_formula_sum 'Mg12 Zr2 Nb2' _cell_volume 347.33873084 _cell_formula_units_Z 2 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 0.25676500 0.07255200 1.0 Mg Mg1 1 0.00000000 0.74323500 0.07255200 1.0 Mg Mg2 1 0.00000000 0.00000000 0.32782700 1.0 Mg Mg3 1 0.50000000 0.74547400 0.42730200 1.0 Mg Mg4 1 0.50000000 0.25452600 0.42730200 1.0 Mg Mg5 1 0.50000000 0.00000000 0.17321600 1.0 Mg Mg6 1 0.00000000 0.75676500 0.57255200 1.0 Mg Mg7 1 0.00000000 0.24323500 0.57255200 1.0 Mg Mg8 1 0.00000000 0.50000000 0.82782700 1.0 Mg Mg9 1 0.50000000 0.24547400 0.92730200 1.0 Mg Mg10 1 0.50000000 0.75452600 0.92730200 1.0 Mg Mg11 1 0.50000000 0.50000000 0.67321600 1.0 Zr Zr12 1 0.00000000 0.50000000 0.30160100 1.0 Zr Zr13 1 0.00000000 0.00000000 0.80160100 1.0 Nb Nb14 1 0.50000000 0.50000000 0.19764900 1.0 Nb Nb15 1 0.50000000 0.00000000 0.69764900 1.0