# generated using pymatgen data_Mg6MnB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40431800 _cell_length_b 6.35114100 _cell_length_c 10.83975100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6MnB _chemical_formula_sum 'Mg12 Mn2 B2' _cell_volume 303.21433462 _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 0.27020900 0.08981000 1.0 Mg Mg1 1 0.00000000 0.72979100 0.08981000 1.0 Mg Mg2 1 0.00000000 0.50000000 0.83372200 1.0 Mg Mg3 1 0.50000000 0.23174700 0.90085900 1.0 Mg Mg4 1 0.50000000 0.76825300 0.90085900 1.0 Mg Mg5 1 0.50000000 0.50000000 0.66249200 1.0 Mg Mg6 1 0.00000000 0.77020900 0.58981000 1.0 Mg Mg7 1 0.00000000 0.22979100 0.58981000 1.0 Mg Mg8 1 0.00000000 0.00000000 0.33372200 1.0 Mg Mg9 1 0.50000000 0.73174700 0.40085900 1.0 Mg Mg10 1 0.50000000 0.26825300 0.40085900 1.0 Mg Mg11 1 0.50000000 0.00000000 0.16249200 1.0 Mn Mn12 1 0.00000000 0.50000000 0.30323100 1.0 Mn Mn13 1 0.00000000 0.00000000 0.80323100 1.0 B B14 1 0.50000000 0.50000000 0.21921800 1.0 B B15 1 0.50000000 0.00000000 0.71921800 1.0