# generated using pymatgen data_Mg14FeBO16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.55460526 _cell_length_b 8.55460526 _cell_length_c 4.21862344 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg14FeBO16 _chemical_formula_sum 'Mg14 Fe1 B1 O16' _cell_volume 308.72422586 _cell_formula_units_Z 1 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 0.50000000 -0.00000000 1.0 Mg Mg1 1 0.50000000 -0.00000000 -0.00000000 1.0 Mg Mg2 1 -0.00000000 0.25250486 0.50000000 1.0 Mg Mg3 1 -0.00000000 0.74749514 0.50000000 1.0 Mg Mg4 1 0.50000000 0.25334454 0.50000000 1.0 Mg Mg5 1 0.50000000 0.74665546 0.50000000 1.0 Mg Mg6 1 0.25250486 -0.00000000 0.50000000 1.0 Mg Mg7 1 0.25334454 0.50000000 0.50000000 1.0 Mg Mg8 1 0.74749514 -0.00000000 0.50000000 1.0 Mg Mg9 1 0.74665546 0.50000000 0.50000000 1.0 Mg Mg10 1 0.25426979 0.25426979 0.00000000 1.0 Mg Mg11 1 0.25426979 0.74573021 -0.00000000 1.0 Mg Mg12 1 0.74573021 0.25426979 0.00000000 1.0 Mg Mg13 1 0.74573021 0.74573021 -0.00000000 1.0 Fe Fe14 1 -0.00000000 -0.00000000 -0.00000000 1.0 B B15 1 0.50000000 0.50000000 -0.00000000 1.0 O O16 1 0.24977008 -0.00000000 0.00000000 1.0 O O17 1 0.24366558 0.50000000 -0.00000000 1.0 O O18 1 0.75022992 -0.00000000 -0.00000000 1.0 O O19 1 0.75633442 0.50000000 0.00000000 1.0 O O20 1 0.25075841 0.25075841 0.50000000 1.0 O O21 1 0.25075841 0.74924159 0.50000000 1.0 O O22 1 0.74924159 0.25075841 0.50000000 1.0 O O23 1 0.74924159 0.74924159 0.50000000 1.0 O O24 1 -0.00000000 -0.00000000 0.50000000 1.0 O O25 1 -0.00000000 0.50000000 0.50000000 1.0 O O26 1 0.50000000 -0.00000000 0.50000000 1.0 O O27 1 0.50000000 0.50000000 0.50000000 1.0 O O28 1 -0.00000000 0.24977008 0.00000000 1.0 O O29 1 -0.00000000 0.75022992 0.00000000 1.0 O O30 1 0.50000000 0.24366558 -0.00000000 1.0 O O31 1 0.50000000 0.75633442 0.00000000 1.0