# generated using pymatgen data_Mg6ZrMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92312500 _cell_length_b 6.12466500 _cell_length_c 11.15664700 _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 336.40070248 _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 0.25637000 0.07141500 1.0 Mg Mg1 1 0.00000000 0.74363000 0.07141500 1.0 Mg Mg2 1 0.00000000 0.00000000 0.32970900 1.0 Mg Mg3 1 0.50000000 0.74685400 0.42665300 1.0 Mg Mg4 1 0.50000000 0.25314600 0.42665300 1.0 Mg Mg5 1 0.50000000 0.00000000 0.17325000 1.0 Mg Mg6 1 0.00000000 0.75637000 0.57141500 1.0 Mg Mg7 1 0.00000000 0.24363000 0.57141500 1.0 Mg Mg8 1 0.00000000 0.50000000 0.82970900 1.0 Mg Mg9 1 0.50000000 0.24685400 0.92665300 1.0 Mg Mg10 1 0.50000000 0.75314600 0.92665300 1.0 Mg Mg11 1 0.50000000 0.50000000 0.67325000 1.0 Zr Zr12 1 0.00000000 0.50000000 0.30107800 1.0 Zr Zr13 1 0.00000000 0.00000000 0.80107800 1.0 Mo Mo14 1 0.50000000 0.50000000 0.19982700 1.0 Mo Mo15 1 0.50000000 0.00000000 0.69982700 1.0