# generated using pymatgen data_SrMg6Zr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27548100 _cell_length_b 6.95215600 _cell_length_c 11.21416900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMg6Zr _chemical_formula_sum 'Sr2 Mg12 Zr2' _cell_volume 411.29049091 _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 Sr Sr0 1 0.50000000 0.50000000 0.14399100 1.0 Sr Sr1 1 0.50000000 0.00000000 0.64399100 1.0 Mg Mg2 1 0.00000000 0.22998200 0.09189300 1.0 Mg Mg3 1 0.00000000 0.77001800 0.09189300 1.0 Mg Mg4 1 0.00000000 0.50000000 0.85157200 1.0 Mg Mg5 1 0.50000000 0.22931600 0.90331400 1.0 Mg Mg6 1 0.50000000 0.77068400 0.90331400 1.0 Mg Mg7 1 0.50000000 0.50000000 0.65995800 1.0 Mg Mg8 1 0.00000000 0.72998200 0.59189300 1.0 Mg Mg9 1 0.00000000 0.27001800 0.59189300 1.0 Mg Mg10 1 0.00000000 0.00000000 0.35157200 1.0 Mg Mg11 1 0.50000000 0.72931600 0.40331400 1.0 Mg Mg12 1 0.50000000 0.27068400 0.40331400 1.0 Mg Mg13 1 0.50000000 0.00000000 0.15995800 1.0 Zr Zr14 1 0.00000000 0.50000000 0.35406400 1.0 Zr Zr15 1 0.00000000 0.00000000 0.85406400 1.0