# generated using pymatgen data_NaYMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26895400 _cell_length_b 6.65791300 _cell_length_c 11.56568100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaYMg6 _chemical_formula_sum 'Na2 Y2 Mg12' _cell_volume 405.72683440 _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 Na Na0 1 0.50000000 0.50000000 0.16207500 1.0 Na Na1 1 0.50000000 0.00000000 0.66207500 1.0 Y Y2 1 0.00000000 0.50000000 0.33729500 1.0 Y Y3 1 0.00000000 0.00000000 0.83729500 1.0 Mg Mg4 1 0.00000000 0.74875700 0.08154400 1.0 Mg Mg5 1 0.00000000 0.25124300 0.08154400 1.0 Mg Mg6 1 0.00000000 0.00000000 0.33626700 1.0 Mg Mg7 1 0.50000000 0.24881600 0.41721300 1.0 Mg Mg8 1 0.50000000 0.75118400 0.41721300 1.0 Mg Mg9 1 0.50000000 0.00000000 0.16684900 1.0 Mg Mg10 1 0.00000000 0.24875700 0.58154400 1.0 Mg Mg11 1 0.00000000 0.75124300 0.58154400 1.0 Mg Mg12 1 0.00000000 0.50000000 0.83626700 1.0 Mg Mg13 1 0.50000000 0.74881600 0.91721300 1.0 Mg Mg14 1 0.50000000 0.25118400 0.91721300 1.0 Mg Mg15 1 0.50000000 0.50000000 0.66684900 1.0