# generated using pymatgen data_Mg6ZrCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04904800 _cell_length_b 6.23121100 _cell_length_c 11.00838400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6ZrCr _chemical_formula_sum 'Mg12 Zr2 Cr2' _cell_volume 346.34229256 _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 0.24590800 0.41757000 1.0 Mg Mg1 1 0.50000000 0.75409200 0.41757000 1.0 Mg Mg2 1 0.00000000 0.74597500 0.08707700 1.0 Mg Mg3 1 0.00000000 0.25402500 0.08707700 1.0 Mg Mg4 1 0.00000000 0.00000000 0.33080900 1.0 Mg Mg5 1 0.00000000 0.50000000 0.32755800 1.0 Mg Mg6 1 0.50000000 0.74590800 0.91757000 1.0 Mg Mg7 1 0.50000000 0.25409200 0.91757000 1.0 Mg Mg8 1 0.00000000 0.24597500 0.58707700 1.0 Mg Mg9 1 0.00000000 0.75402500 0.58707700 1.0 Mg Mg10 1 0.00000000 0.50000000 0.83080900 1.0 Mg Mg11 1 0.00000000 0.00000000 0.82755800 1.0 Zr Zr12 1 0.50000000 0.00000000 0.16769500 1.0 Zr Zr13 1 0.50000000 0.50000000 0.66769500 1.0 Cr Cr14 1 0.50000000 0.50000000 0.16464000 1.0 Cr Cr15 1 0.50000000 0.00000000 0.66464000 1.0