# generated using pymatgen data_MgGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11491062 _cell_length_b 6.65192882 _cell_length_c 16.18702824 _cell_angle_alpha 89.99955172 _cell_angle_beta 89.99985460 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgGa2 _chemical_formula_sum 'Mg8 Ga16' _cell_volume 443.07283500 _cell_formula_units_Z 8 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 0.99999900 0.32686125 0.07809963 1.0 Mg Mg1 1 0.00000100 0.30047530 0.77855762 1.0 Mg Mg2 1 0.00000100 0.67316010 0.92186857 1.0 Mg Mg3 1 -0.00000000 0.69945457 0.22139678 1.0 Mg Mg4 1 0.99999700 0.80046099 0.72144651 1.0 Mg Mg5 1 0.00000100 0.82683366 0.42191235 1.0 Mg Mg6 1 0.99999900 0.17321300 0.57813865 1.0 Mg Mg7 1 0.00000100 0.19939858 0.27862767 1.0 Ga Ga8 1 0.50000000 0.35650875 0.93741933 1.0 Ga Ga9 1 0.50000000 0.14348961 0.43750873 1.0 Ga Ga10 1 0.49999900 0.47670069 0.65842737 1.0 Ga Ga11 1 0.50000000 0.85658708 0.56264282 1.0 Ga Ga12 1 0.00000000 0.89795216 0.06633810 1.0 Ga Ga13 1 -0.00000000 0.10217663 0.93344466 1.0 Ga Ga14 1 0.50000100 0.52312930 0.34164863 1.0 Ga Ga15 1 0.50000000 0.40543373 0.18997812 1.0 Ga Ga16 1 0.50000000 0.64351403 0.06242086 1.0 Ga Ga17 1 -0.00000000 0.60218273 0.56654011 1.0 Ga Ga18 1 0.50000000 0.90546967 0.30999659 1.0 Ga Ga19 1 0.50000000 0.97673805 0.84157405 1.0 Ga Ga20 1 0.49999900 0.09462487 0.68998393 1.0 Ga Ga21 1 0.50000000 0.02305741 0.15833969 1.0 Ga Ga22 1 0.50000000 0.59462225 0.81005520 1.0 Ga Ga23 1 -0.00000000 0.39795459 0.43363604 1.0