# generated using pymatgen data_Mg6NbNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77457100 _cell_length_b 5.93080900 _cell_length_c 10.99232000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6NbNi _chemical_formula_sum 'Mg12 Nb2 Ni2' _cell_volume 311.27028015 _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 0.73992400 0.08209500 1.0 Mg Mg1 1 0.00000000 0.26007600 0.08209500 1.0 Mg Mg2 1 0.00000000 0.00000000 0.32386900 1.0 Mg Mg3 1 0.50000000 0.25446200 0.42488700 1.0 Mg Mg4 1 0.50000000 0.74553800 0.42488700 1.0 Mg Mg5 1 0.50000000 0.00000000 0.16953300 1.0 Mg Mg6 1 0.00000000 0.23992400 0.58209500 1.0 Mg Mg7 1 0.00000000 0.76007600 0.58209500 1.0 Mg Mg8 1 0.00000000 0.50000000 0.82386900 1.0 Mg Mg9 1 0.50000000 0.75446200 0.92488700 1.0 Mg Mg10 1 0.50000000 0.24553800 0.92488700 1.0 Mg Mg11 1 0.50000000 0.50000000 0.66953300 1.0 Nb Nb12 1 0.50000000 0.50000000 0.19136500 1.0 Nb Nb13 1 0.50000000 0.00000000 0.69136500 1.0 Ni Ni14 1 0.00000000 0.50000000 0.30126800 1.0 Ni Ni15 1 0.00000000 0.00000000 0.80126800 1.0