# generated using pymatgen data_NaCaMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38780800 _cell_length_b 6.63114100 _cell_length_c 11.78920700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCaMg6 _chemical_formula_sum 'Na2 Ca2 Mg12' _cell_volume 421.19670654 _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 0.16666900 1.0 Na Na1 1 0.50000000 0.00000000 0.66666900 1.0 Ca Ca2 1 0.50000000 0.00000000 0.16742000 1.0 Ca Ca3 1 0.50000000 0.50000000 0.66742000 1.0 Mg Mg4 1 0.50000000 0.24715100 0.41855400 1.0 Mg Mg5 1 0.50000000 0.75284900 0.41855400 1.0 Mg Mg6 1 0.00000000 0.74797000 0.07825900 1.0 Mg Mg7 1 0.00000000 0.25203000 0.07825900 1.0 Mg Mg8 1 0.00000000 0.00000000 0.33689400 1.0 Mg Mg9 1 0.00000000 0.50000000 0.33538700 1.0 Mg Mg10 1 0.50000000 0.74715100 0.91855400 1.0 Mg Mg11 1 0.50000000 0.25284900 0.91855400 1.0 Mg Mg12 1 0.00000000 0.24797000 0.57825900 1.0 Mg Mg13 1 0.00000000 0.75203000 0.57825900 1.0 Mg Mg14 1 0.00000000 0.50000000 0.83689400 1.0 Mg Mg15 1 0.00000000 0.00000000 0.83538700 1.0