# generated using pymatgen data_Fe2B7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88855400 _cell_length_b 10.61792700 _cell_length_c 16.86003500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2B7 _chemical_formula_sum 'Fe16 B56' _cell_volume 517.10495332 _cell_formula_units_Z 8 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 Fe Fe0 1 0.50000000 0.96792000 0.27853900 1.0 Fe Fe1 1 0.50000000 0.03208000 0.72146100 1.0 Fe Fe2 1 0.50000000 0.53208000 0.77853900 1.0 Fe Fe3 1 0.50000000 0.46792000 0.22146100 1.0 Fe Fe4 1 0.00000000 0.68019600 0.37887900 1.0 Fe Fe5 1 0.00000000 0.31980400 0.62112100 1.0 Fe Fe6 1 0.00000000 0.81980400 0.87887900 1.0 Fe Fe7 1 0.00000000 0.18019600 0.12112100 1.0 Fe Fe8 1 0.50000000 0.60672600 0.03360300 1.0 Fe Fe9 1 0.50000000 0.39327400 0.96639700 1.0 Fe Fe10 1 0.50000000 0.89327400 0.53360300 1.0 Fe Fe11 1 0.50000000 0.10672600 0.46639700 1.0 Fe Fe12 1 0.00000000 0.76567200 0.11350100 1.0 Fe Fe13 1 0.00000000 0.23432800 0.88649900 1.0 Fe Fe14 1 0.00000000 0.73432800 0.61350100 1.0 Fe Fe15 1 0.00000000 0.26567200 0.38649900 1.0 B B16 1 0.00000000 0.55184800 0.13175000 1.0 B B17 1 0.00000000 0.44815200 0.86825000 1.0 B B18 1 0.00000000 0.94815200 0.63175000 1.0 B B19 1 0.00000000 0.05184800 0.36825000 1.0 B B20 1 0.00000000 0.96099800 0.45266800 1.0 B B21 1 0.00000000 0.03900200 0.54733200 1.0 B B22 1 0.00000000 0.53900200 0.95266800 1.0 B B23 1 0.00000000 0.46099800 0.04733200 1.0 B B24 1 0.00000000 0.89169000 0.19702100 1.0 B B25 1 0.00000000 0.10831000 0.80297900 1.0 B B26 1 0.00000000 0.60831000 0.69702100 1.0 B B27 1 0.00000000 0.39169000 0.30297900 1.0 B B28 1 0.00000000 0.87517600 0.35933000 1.0 B B29 1 0.00000000 0.12482400 0.64067000 1.0 B B30 1 0.00000000 0.62482400 0.85933000 1.0 B B31 1 0.00000000 0.37517600 0.14067000 1.0 B B32 1 0.50000000 0.90245100 0.05534200 1.0 B B33 1 0.50000000 0.09754900 0.94465800 1.0 B B34 1 0.50000000 0.59754900 0.55534200 1.0 B B35 1 0.50000000 0.40245100 0.44465800 1.0 B B36 1 0.00000000 0.54416700 0.29916000 1.0 B B37 1 0.00000000 0.45583300 0.70084000 1.0 B B38 1 0.00000000 0.95583300 0.79916000 1.0 B B39 1 0.00000000 0.04416700 0.20084000 1.0 B B40 1 0.50000000 0.78747700 0.20979500 1.0 B B41 1 0.50000000 0.21252300 0.79020500 1.0 B B42 1 0.50000000 0.71252300 0.70979500 1.0 B B43 1 0.50000000 0.28747700 0.29020500 1.0 B B44 1 0.00000000 0.80481400 0.46687400 1.0 B B45 1 0.00000000 0.19518600 0.53312600 1.0 B B46 1 0.00000000 0.69518600 0.96687400 1.0 B B47 1 0.00000000 0.30481400 0.03312600 1.0 B B48 1 0.00000000 0.97584000 0.10097100 1.0 B B49 1 0.00000000 0.02416000 0.89902900 1.0 B B50 1 0.00000000 0.52416000 0.60097100 1.0 B B51 1 0.00000000 0.47584000 0.39902900 1.0 B B52 1 0.50000000 0.55858800 0.44595500 1.0 B B53 1 0.50000000 0.44141200 0.55404500 1.0 B B54 1 0.50000000 0.94141200 0.94595500 1.0 B B55 1 0.50000000 0.05858800 0.05404500 1.0 B B56 1 0.50000000 0.71242900 0.48174500 1.0 B B57 1 0.50000000 0.28757100 0.51825500 1.0 B B58 1 0.50000000 0.78757100 0.98174500 1.0 B B59 1 0.50000000 0.21242900 0.01825500 1.0 B B60 1 0.50000000 0.63832500 0.16029200 1.0 B B61 1 0.50000000 0.36167500 0.83970800 1.0 B B62 1 0.50000000 0.86167500 0.66029200 1.0 B B63 1 0.50000000 0.13832500 0.33970800 1.0 B B64 1 0.50000000 0.64373000 0.28054200 1.0 B B65 1 0.50000000 0.35627000 0.71945800 1.0 B B66 1 0.50000000 0.85627000 0.78054200 1.0 B B67 1 0.50000000 0.14373000 0.21945800 1.0 B B68 1 0.50000000 0.79220500 0.32042400 1.0 B B69 1 0.50000000 0.20779500 0.67957600 1.0 B B70 1 0.50000000 0.70779500 0.82042400 1.0 B B71 1 0.50000000 0.29220500 0.17957600 1.0