# generated using pymatgen data_Mg2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15114353 _cell_length_b 5.15114390 _cell_length_c 13.07114086 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999769 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Ni _chemical_formula_sum 'Mg12 Ni6' _cell_volume 300.36648344 _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 0.50000000 -0.00000000 0.11605652 1.0 Mg Mg1 1 0.50000000 0.50000000 0.44939052 1.0 Mg Mg2 1 -0.00000000 0.50000000 0.78272352 1.0 Mg Mg3 1 0.50000000 -0.00000000 0.88394348 1.0 Mg Mg4 1 0.50000000 0.50000000 0.21727648 1.0 Mg Mg5 1 -0.00000000 0.50000000 0.55060948 1.0 Mg Mg6 1 0.16426222 0.32852743 0.00000000 1.0 Mg Mg7 1 0.83573778 0.16426222 0.33333300 1.0 Mg Mg8 1 0.32852743 0.16426222 0.66666700 1.0 Mg Mg9 1 0.67147257 0.83573778 0.66666700 1.0 Mg Mg10 1 0.16426222 0.83573778 0.33333300 1.0 Mg Mg11 1 0.83573778 0.67147257 0.00000000 1.0 Ni Ni12 1 -0.00000000 -0.00000000 0.16666700 1.0 Ni Ni13 1 -0.00000000 -0.00000000 0.50000000 1.0 Ni Ni14 1 -0.00000000 -0.00000000 0.83333300 1.0 Ni Ni15 1 -0.00000000 0.50000000 0.16666700 1.0 Ni Ni16 1 0.50000000 -0.00000000 0.50000000 1.0 Ni Ni17 1 0.50000000 0.50000000 0.83333300 1.0