# generated using pymatgen data_Mg6ZrSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82385700 _cell_length_b 6.41273100 _cell_length_c 10.84766700 _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 335.56278671 _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 0.25157100 0.08193300 1.0 Mg Mg1 1 0.00000000 0.74842900 0.08193300 1.0 Mg Mg2 1 0.00000000 0.50000000 0.83315400 1.0 Mg Mg3 1 0.50000000 0.25450300 0.91659000 1.0 Mg Mg4 1 0.50000000 0.74549700 0.91659000 1.0 Mg Mg5 1 0.50000000 0.50000000 0.66750600 1.0 Mg Mg6 1 0.00000000 0.75157100 0.58193300 1.0 Mg Mg7 1 0.00000000 0.24842900 0.58193300 1.0 Mg Mg8 1 0.00000000 0.00000000 0.33315400 1.0 Mg Mg9 1 0.50000000 0.75450300 0.41659000 1.0 Mg Mg10 1 0.50000000 0.24549700 0.41659000 1.0 Mg Mg11 1 0.50000000 0.00000000 0.16750600 1.0 Zr Zr12 1 0.00000000 0.50000000 0.32338700 1.0 Zr Zr13 1 0.00000000 0.00000000 0.82338700 1.0 Si Si14 1 0.50000000 0.50000000 0.17890600 1.0 Si Si15 1 0.50000000 0.00000000 0.67890600 1.0