# generated using pymatgen data_MnFeBO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22477500 _cell_length_b 9.50826200 _cell_length_c 9.53667812 _cell_angle_alpha 89.41792885 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnFeBO4 _chemical_formula_sum 'Mn4 Fe4 B4 O16' _cell_volume 292.39858845 _cell_formula_units_Z 4 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 Mn Mn0 1 0.00000000 0.89805900 0.18611200 1.0 Mn Mn1 1 0.50000000 0.59786500 0.69411100 1.0 Mn Mn2 1 0.00000000 0.39772500 0.30915500 1.0 Mn Mn3 1 0.50000000 0.10547100 0.81231900 1.0 Fe Fe4 1 0.00000000 0.88245000 0.56809300 1.0 Fe Fe5 1 0.50000000 0.61288600 0.06403700 1.0 Fe Fe6 1 0.00000000 0.37847600 0.93602200 1.0 Fe Fe7 1 0.50000000 0.11651900 0.43006200 1.0 B B8 1 0.00000000 0.83260000 0.87423000 1.0 B B9 1 0.50000000 0.66401600 0.37258600 1.0 B B10 1 0.00000000 0.33425700 0.62379900 1.0 B B11 1 0.50000000 0.17114900 0.12532800 1.0 O O12 1 0.00000000 0.99535000 0.38845800 1.0 O O13 1 0.00000000 0.97475700 0.87527500 1.0 O O14 1 0.00000000 0.75489500 0.00058100 1.0 O O15 1 0.00000000 0.76018600 0.74580500 1.0 O O16 1 0.50000000 0.73797400 0.24613600 1.0 O O17 1 0.50000000 0.73850200 0.50152100 1.0 O O18 1 0.50000000 0.52133000 0.37403900 1.0 O O19 1 0.50000000 0.51075000 0.88827700 1.0 O O20 1 0.00000000 0.49487100 0.12161600 1.0 O O21 1 0.00000000 0.47692900 0.62489000 1.0 O O22 1 0.00000000 0.26440400 0.49187100 1.0 O O23 1 0.00000000 0.25577900 0.74695200 1.0 O O24 1 0.50000000 0.24738800 0.25249500 1.0 O O25 1 0.50000000 0.24103500 0.99735900 1.0 O O26 1 0.50000000 0.02942700 0.13574700 1.0 O O27 1 0.50000000 0.00495000 0.61312500 1.0