# generated using pymatgen data_Mg2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.64864885 _cell_length_b 7.64864804 _cell_length_c 6.98307274 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00003826 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Ga _chemical_formula_sum 'Mg12 Ga6' _cell_volume 353.79071430 _cell_formula_units_Z 6 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 0.02366589 0.62548034 0.75000000 1.0 Mg Mg1 1 0.37451966 0.39818455 0.75000000 1.0 Mg Mg2 1 0.60181445 0.97633411 0.75000000 1.0 Mg Mg3 1 0.97633411 0.60181445 0.25000000 1.0 Mg Mg4 1 0.39818455 0.37451966 0.25000000 1.0 Mg Mg5 1 0.62548034 0.02366589 0.25000000 1.0 Mg Mg6 1 0.27219629 0.00000000 0.00000000 1.0 Mg Mg7 1 0.72780371 0.72780371 0.50000000 1.0 Mg Mg8 1 0.00000000 0.27219629 0.50000000 1.0 Mg Mg9 1 0.00000000 0.27219629 0.00000000 1.0 Mg Mg10 1 0.72780371 0.72780371 0.00000000 1.0 Mg Mg11 1 0.27219629 0.00000000 0.50000000 1.0 Ga Ga12 1 0.66666700 0.33333300 0.53634216 1.0 Ga Ga13 1 0.66666700 0.33333300 0.96365784 1.0 Ga Ga14 1 0.33333300 0.66666700 0.46365784 1.0 Ga Ga15 1 0.33333300 0.66666700 0.03634216 1.0 Ga Ga16 1 -0.00000000 -0.00000000 0.75000000 1.0 Ga Ga17 1 -0.00000000 -0.00000000 0.25000000 1.0