# generated using pymatgen data_Mg6ZrSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05246100 _cell_length_b 5.87957400 _cell_length_c 11.29430800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6ZrSi _chemical_formula_sum 'Mg12 Zr2 Si2' _cell_volume 335.51230878 _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 0.74948200 0.92394700 1.0 Mg Mg1 1 0.50000000 0.25051800 0.92394700 1.0 Mg Mg2 1 0.00000000 0.25087000 0.57851000 1.0 Mg Mg3 1 0.00000000 0.74913000 0.57851000 1.0 Mg Mg4 1 0.00000000 0.50000000 0.83163600 1.0 Mg Mg5 1 0.00000000 0.00000000 0.81927600 1.0 Mg Mg6 1 0.50000000 0.24948200 0.42394700 1.0 Mg Mg7 1 0.50000000 0.75051800 0.42394700 1.0 Mg Mg8 1 0.00000000 0.75087000 0.07851000 1.0 Mg Mg9 1 0.00000000 0.24913000 0.07851000 1.0 Mg Mg10 1 0.00000000 0.00000000 0.33163600 1.0 Mg Mg11 1 0.00000000 0.50000000 0.31927600 1.0 Zr Zr12 1 0.50000000 0.50000000 0.67710600 1.0 Zr Zr13 1 0.50000000 0.00000000 0.17710600 1.0 Si Si14 1 0.50000000 0.00000000 0.66706500 1.0 Si Si15 1 0.50000000 0.50000000 0.16706500 1.0