# generated using pymatgen data_Nb3(Fe10B3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.58035440 _cell_length_b 7.58035440 _cell_length_c 7.58035440 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3(Fe10B3)2 _chemical_formula_sum 'Nb3 Fe20 B6' _cell_volume 308.00199778 _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 Nb Nb0 1 0.25000000 0.25000000 0.25000000 1.0 Nb Nb1 1 0.75000000 0.75000000 0.75000000 1.0 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe3 1 0.34657800 0.65342200 0.00000000 1.0 Fe Fe4 1 0.34657800 0.00000000 0.65342200 1.0 Fe Fe5 1 0.00000000 0.65342200 0.34657800 1.0 Fe Fe6 1 0.61546000 0.15361900 0.61546000 1.0 Fe Fe7 1 0.38454000 0.38454000 0.84638100 1.0 Fe Fe8 1 0.84638100 0.38454000 0.38454000 1.0 Fe Fe9 1 0.38454000 0.38454000 0.38454000 1.0 Fe Fe10 1 0.15361900 0.61546000 0.61546000 1.0 Fe Fe11 1 0.61546000 0.61546000 0.61546000 1.0 Fe Fe12 1 0.61546000 0.61546000 0.15361900 1.0 Fe Fe13 1 0.38454000 0.84638100 0.38454000 1.0 Fe Fe14 1 0.65342200 0.34657800 0.00000000 1.0 Fe Fe15 1 0.00000000 0.34657800 0.65342200 1.0 Fe Fe16 1 0.65342200 0.00000000 0.00000000 1.0 Fe Fe17 1 0.00000000 0.00000000 0.34657800 1.0 Fe Fe18 1 0.00000000 0.00000000 0.65342200 1.0 Fe Fe19 1 0.00000000 0.34657800 0.00000000 1.0 Fe Fe20 1 0.65342200 0.00000000 0.34657800 1.0 Fe Fe21 1 0.34657800 0.00000000 0.00000000 1.0 Fe Fe22 1 0.00000000 0.65342200 0.00000000 1.0 B B23 1 0.27086500 0.27086500 0.72913500 1.0 B B24 1 0.72913500 0.72913500 0.27086500 1.0 B B25 1 0.72913500 0.27086500 0.72913500 1.0 B B26 1 0.27086500 0.72913500 0.27086500 1.0 B B27 1 0.27086500 0.72913500 0.72913500 1.0 B B28 1 0.72913500 0.27086500 0.27086500 1.0