# generated using pymatgen data_U2(Fe7B2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.58052128 _cell_length_b 7.58052128 _cell_length_c 7.58052128 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural U2(Fe7B2)3 _chemical_formula_sum 'U2 Fe21 B6' _cell_volume 308.02233969 _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 U U0 1 0.25000000 0.25000000 0.25000000 1.0 U U1 1 0.75000000 0.75000000 0.75000000 1.0 Fe Fe2 1 0.33666700 0.00000000 0.00000000 1.0 Fe Fe3 1 0.66333300 0.00000000 0.00000000 1.0 Fe Fe4 1 0.00000000 0.33666700 0.66333300 1.0 Fe Fe5 1 0.00000000 0.66333300 0.33666700 1.0 Fe Fe6 1 0.00000000 0.33666700 0.00000000 1.0 Fe Fe7 1 0.66333300 0.00000000 0.33666700 1.0 Fe Fe8 1 0.00000000 0.66333300 0.00000000 1.0 Fe Fe9 1 0.33666700 0.00000000 0.66333300 1.0 Fe Fe10 1 0.00000000 0.00000000 0.33666700 1.0 Fe Fe11 1 0.00000000 0.00000000 0.66333300 1.0 Fe Fe12 1 0.66333300 0.33666700 0.00000000 1.0 Fe Fe13 1 0.33666700 0.66333300 0.00000000 1.0 Fe Fe14 1 0.38123600 0.38123600 0.38123600 1.0 Fe Fe15 1 0.61876400 0.61876400 0.61876400 1.0 Fe Fe16 1 0.38123600 0.38123600 0.85629300 1.0 Fe Fe17 1 0.38123600 0.85629300 0.38123600 1.0 Fe Fe18 1 0.61876400 0.61876400 0.14370700 1.0 Fe Fe19 1 0.61876400 0.14370700 0.61876400 1.0 Fe Fe20 1 0.85629300 0.38123600 0.38123600 1.0 Fe Fe21 1 0.14370700 0.61876400 0.61876400 1.0 Fe Fe22 1 0.00000000 0.00000000 0.00000000 1.0 B B23 1 0.72724500 0.27275500 0.27275500 1.0 B B24 1 0.27275500 0.72724500 0.72724500 1.0 B B25 1 0.27275500 0.72724500 0.27275500 1.0 B B26 1 0.72724500 0.27275500 0.72724500 1.0 B B27 1 0.27275500 0.27275500 0.72724500 1.0 B B28 1 0.72724500 0.72724500 0.27275500 1.0