# generated using pymatgen data_LiMg6Zr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07579600 _cell_length_b 6.35694400 _cell_length_c 11.10080100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMg6Zr _chemical_formula_sum 'Li2 Mg12 Zr2' _cell_volume 358.18456080 _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 Li Li0 1 0.50000000 0.50000000 0.16727300 1.0 Li Li1 1 0.50000000 0.00000000 0.66727300 1.0 Mg Mg2 1 0.00000000 0.74543100 0.08246100 1.0 Mg Mg3 1 0.00000000 0.25456900 0.08246100 1.0 Mg Mg4 1 0.00000000 0.00000000 0.33554900 1.0 Mg Mg5 1 0.50000000 0.25400800 0.41557000 1.0 Mg Mg6 1 0.50000000 0.74599200 0.41557000 1.0 Mg Mg7 1 0.50000000 0.00000000 0.16683500 1.0 Mg Mg8 1 0.00000000 0.24543100 0.58246100 1.0 Mg Mg9 1 0.00000000 0.75456900 0.58246100 1.0 Mg Mg10 1 0.00000000 0.50000000 0.83554900 1.0 Mg Mg11 1 0.50000000 0.75400800 0.91557000 1.0 Mg Mg12 1 0.50000000 0.24599200 0.91557000 1.0 Mg Mg13 1 0.50000000 0.50000000 0.66683500 1.0 Zr Zr14 1 0.00000000 0.50000000 0.33428100 1.0 Zr Zr15 1 0.00000000 0.00000000 0.83428100 1.0