# generated using pymatgen data_Mg6ZrMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99401800 _cell_length_b 6.14064800 _cell_length_c 11.18471400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6ZrMn _chemical_formula_sum 'Mg12 Zr2 Mn2' _cell_volume 342.99610619 _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 0.25161300 0.42180100 1.0 Mg Mg1 1 0.50000000 0.74838700 0.42180100 1.0 Mg Mg2 1 0.00000000 0.75214800 0.08510800 1.0 Mg Mg3 1 0.00000000 0.24785200 0.08510800 1.0 Mg Mg4 1 0.00000000 0.00000000 0.31955500 1.0 Mg Mg5 1 0.00000000 0.50000000 0.33155100 1.0 Mg Mg6 1 0.50000000 0.75161300 0.92180100 1.0 Mg Mg7 1 0.50000000 0.24838700 0.92180100 1.0 Mg Mg8 1 0.00000000 0.25214800 0.58510800 1.0 Mg Mg9 1 0.00000000 0.74785200 0.58510800 1.0 Mg Mg10 1 0.00000000 0.50000000 0.81955500 1.0 Mg Mg11 1 0.00000000 0.00000000 0.83155100 1.0 Zr Zr12 1 0.50000000 0.50000000 0.17433600 1.0 Zr Zr13 1 0.50000000 0.00000000 0.67433600 1.0 Mn Mn14 1 0.50000000 0.00000000 0.16073500 1.0 Mn Mn15 1 0.50000000 0.50000000 0.66073500 1.0