# generated using pymatgen data_Mg6ZrMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05245400 _cell_length_b 5.84010200 _cell_length_c 11.31130300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6ZrMo _chemical_formula_sum 'Mg12 Zr2 Mo2' _cell_volume 333.76088371 _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 0.24950800 0.42412900 1.0 Mg Mg1 1 0.50000000 0.75049200 0.42412900 1.0 Mg Mg2 1 0.00000000 0.74213100 0.08462600 1.0 Mg Mg3 1 0.00000000 0.25786900 0.08462600 1.0 Mg Mg4 1 0.00000000 0.00000000 0.32605400 1.0 Mg Mg5 1 0.00000000 0.50000000 0.31161100 1.0 Mg Mg6 1 0.50000000 0.74950800 0.92412900 1.0 Mg Mg7 1 0.50000000 0.25049200 0.92412900 1.0 Mg Mg8 1 0.00000000 0.24213100 0.58462600 1.0 Mg Mg9 1 0.00000000 0.75786900 0.58462600 1.0 Mg Mg10 1 0.00000000 0.50000000 0.82605400 1.0 Mg Mg11 1 0.00000000 0.00000000 0.81161100 1.0 Zr Zr12 1 0.50000000 0.00000000 0.17396500 1.0 Zr Zr13 1 0.50000000 0.50000000 0.67396500 1.0 Mo Mo14 1 0.50000000 0.50000000 0.17085700 1.0 Mo Mo15 1 0.50000000 0.00000000 0.67085700 1.0