# generated using pymatgen data_Mg6ZrCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81649800 _cell_length_b 6.12294200 _cell_length_c 11.09214100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6ZrCo _chemical_formula_sum 'Mg12 Zr2 Co2' _cell_volume 327.11985981 _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 0.25870100 0.07500500 1.0 Mg Mg1 1 0.00000000 0.74129900 0.07500500 1.0 Mg Mg2 1 0.00000000 0.00000000 0.33349500 1.0 Mg Mg3 1 0.50000000 0.74440000 0.42006900 1.0 Mg Mg4 1 0.50000000 0.25560000 0.42006900 1.0 Mg Mg5 1 0.50000000 0.00000000 0.17230300 1.0 Mg Mg6 1 0.00000000 0.75870100 0.57500500 1.0 Mg Mg7 1 0.00000000 0.24129900 0.57500500 1.0 Mg Mg8 1 0.00000000 0.50000000 0.83349500 1.0 Mg Mg9 1 0.50000000 0.24440000 0.92006900 1.0 Mg Mg10 1 0.50000000 0.75560000 0.92006900 1.0 Mg Mg11 1 0.50000000 0.50000000 0.67230300 1.0 Zr Zr12 1 0.00000000 0.50000000 0.30879700 1.0 Zr Zr13 1 0.00000000 0.00000000 0.80879700 1.0 Co Co14 1 0.50000000 0.50000000 0.19525800 1.0 Co Co15 1 0.50000000 0.00000000 0.69525800 1.0