# generated using pymatgen data_Mg6ZrNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87918700 _cell_length_b 5.88491100 _cell_length_c 11.37276400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6ZrNi _chemical_formula_sum 'Mg12 Zr2 Ni2' _cell_volume 326.55278312 _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 0.50000000 0.74599800 0.93117000 1.0 Mg Mg1 1 0.50000000 0.25400200 0.93117000 1.0 Mg Mg2 1 0.00000000 0.24734800 0.58236400 1.0 Mg Mg3 1 0.00000000 0.75265200 0.58236400 1.0 Mg Mg4 1 0.00000000 0.50000000 0.83416600 1.0 Mg Mg5 1 0.00000000 0.00000000 0.80466300 1.0 Mg Mg6 1 0.50000000 0.24599800 0.43117000 1.0 Mg Mg7 1 0.50000000 0.75400200 0.43117000 1.0 Mg Mg8 1 0.00000000 0.74734800 0.08236400 1.0 Mg Mg9 1 0.00000000 0.25265200 0.08236400 1.0 Mg Mg10 1 0.00000000 0.00000000 0.33416600 1.0 Mg Mg11 1 0.00000000 0.50000000 0.30466300 1.0 Zr Zr12 1 0.50000000 0.50000000 0.68291400 1.0 Zr Zr13 1 0.50000000 0.00000000 0.18291400 1.0 Ni Ni14 1 0.50000000 0.00000000 0.65118600 1.0 Ni Ni15 1 0.50000000 0.50000000 0.15118600 1.0