# generated using pymatgen data_Mg6ZrGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01379500 _cell_length_b 6.07730100 _cell_length_c 11.25752400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6ZrGa _chemical_formula_sum 'Mg12 Zr2 Ga2' _cell_volume 343.02059923 _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 Mg Mg0 1 0.50000000 0.74958900 0.92178500 1.0 Mg Mg1 1 0.50000000 0.25041100 0.92178500 1.0 Mg Mg2 1 0.00000000 0.25293800 0.58052500 1.0 Mg Mg3 1 0.00000000 0.74706200 0.58052500 1.0 Mg Mg4 1 0.00000000 0.50000000 0.83061900 1.0 Mg Mg5 1 0.00000000 0.00000000 0.82382900 1.0 Mg Mg6 1 0.50000000 0.24958900 0.42178500 1.0 Mg Mg7 1 0.50000000 0.75041100 0.42178500 1.0 Mg Mg8 1 0.00000000 0.75293800 0.08052500 1.0 Mg Mg9 1 0.00000000 0.24706200 0.08052500 1.0 Mg Mg10 1 0.00000000 0.00000000 0.33061900 1.0 Mg Mg11 1 0.00000000 0.50000000 0.32382900 1.0 Zr Zr12 1 0.50000000 0.50000000 0.67412400 1.0 Zr Zr13 1 0.50000000 0.00000000 0.17412400 1.0 Ga Ga14 1 0.50000000 0.00000000 0.66680400 1.0 Ga Ga15 1 0.50000000 0.50000000 0.16680400 1.0