# generated using pymatgen data_Mg6ZrCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89531000 _cell_length_b 5.77935500 _cell_length_c 11.36756000 _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 321.60798744 _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 0.74806900 0.92962100 1.0 Mg Mg1 1 0.50000000 0.25193100 0.92962100 1.0 Mg Mg2 1 0.00000000 0.24649700 0.58120900 1.0 Mg Mg3 1 0.00000000 0.75350300 0.58120900 1.0 Mg Mg4 1 0.00000000 0.50000000 0.83194500 1.0 Mg Mg5 1 0.00000000 0.00000000 0.80242100 1.0 Mg Mg6 1 0.50000000 0.24806900 0.42962100 1.0 Mg Mg7 1 0.50000000 0.75193100 0.42962100 1.0 Mg Mg8 1 0.00000000 0.74649700 0.08120900 1.0 Mg Mg9 1 0.00000000 0.25350300 0.08120900 1.0 Mg Mg10 1 0.00000000 0.00000000 0.33194500 1.0 Mg Mg11 1 0.00000000 0.50000000 0.30242100 1.0 Zr Zr12 1 0.50000000 0.50000000 0.68183700 1.0 Zr Zr13 1 0.50000000 0.00000000 0.18183700 1.0 Co Co14 1 0.50000000 0.00000000 0.66213300 1.0 Co Co15 1 0.50000000 0.50000000 0.16213300 1.0