# generated using pymatgen data_Mg6ZrTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08170100 _cell_length_b 6.25300400 _cell_length_c 11.08273400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6ZrTi _chemical_formula_sum 'Mg12 Zr2 Ti2' _cell_volume 352.16381051 _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 0.24840100 0.41794100 1.0 Mg Mg1 1 0.50000000 0.75159900 0.41794100 1.0 Mg Mg2 1 0.00000000 0.74617400 0.08771300 1.0 Mg Mg3 1 0.00000000 0.25382600 0.08771300 1.0 Mg Mg4 1 0.00000000 0.00000000 0.32966400 1.0 Mg Mg5 1 0.00000000 0.50000000 0.32662000 1.0 Mg Mg6 1 0.50000000 0.74840100 0.91794100 1.0 Mg Mg7 1 0.50000000 0.25159900 0.91794100 1.0 Mg Mg8 1 0.00000000 0.24617400 0.58771300 1.0 Mg Mg9 1 0.00000000 0.75382600 0.58771300 1.0 Mg Mg10 1 0.00000000 0.50000000 0.82966400 1.0 Mg Mg11 1 0.00000000 0.00000000 0.82662000 1.0 Zr Zr12 1 0.50000000 0.00000000 0.16655100 1.0 Zr Zr13 1 0.50000000 0.50000000 0.66655100 1.0 Ti Ti14 1 0.50000000 0.50000000 0.16585100 1.0 Ti Ti15 1 0.50000000 0.00000000 0.66585100 1.0