# generated using pymatgen data_Mg6TiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82207700 _cell_length_b 5.90992800 _cell_length_c 10.98933400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6TiNi _chemical_formula_sum 'Mg12 Ti2 Ni2' _cell_volume 313.17544565 _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 0.00000000 0.25335800 0.42611300 1.0 Mg Mg1 1 0.00000000 0.74664200 0.42611300 1.0 Mg Mg2 1 0.50000000 0.75265100 0.08504900 1.0 Mg Mg3 1 0.50000000 0.24734900 0.08504900 1.0 Mg Mg4 1 0.50000000 0.00000000 0.31132600 1.0 Mg Mg5 1 0.50000000 0.50000000 0.32805000 1.0 Mg Mg6 1 0.00000000 0.75335800 0.92611300 1.0 Mg Mg7 1 0.00000000 0.24664200 0.92611300 1.0 Mg Mg8 1 0.50000000 0.25265100 0.58504900 1.0 Mg Mg9 1 0.50000000 0.74734900 0.58504900 1.0 Mg Mg10 1 0.50000000 0.50000000 0.81132600 1.0 Mg Mg11 1 0.50000000 0.00000000 0.82805000 1.0 Ti Ti12 1 0.00000000 0.50000000 0.17793600 1.0 Ti Ti13 1 0.00000000 0.00000000 0.67793600 1.0 Ni Ni14 1 0.00000000 0.00000000 0.16036100 1.0 Ni Ni15 1 0.00000000 0.50000000 0.66036100 1.0