# generated using pymatgen data_BeFe5B2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29469887 _cell_length_b 6.29469874 _cell_length_c 6.29469939 _cell_angle_alpha 128.64317061 _cell_angle_beta 128.64317189 _cell_angle_gamma 75.58541088 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeFe5B2 _chemical_formula_sum 'Be2 Fe10 B4' _cell_volume 148.03237530 _cell_formula_units_Z 2 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 Be Be0 1 0.25000000 0.25000000 0.00000000 1.0 Be Be1 1 0.75000000 0.75000000 0.00000000 1.0 Fe Fe2 1 0.50000000 0.50000000 0.00000000 1.0 Fe Fe3 1 0.31277816 0.47591559 0.50000000 1.0 Fe Fe4 1 0.81277816 0.31277816 0.83686157 1.0 Fe Fe5 1 0.68722184 0.52408441 0.50000000 1.0 Fe Fe6 1 0.02408441 0.18722184 0.50000000 1.0 Fe Fe7 1 0.52408441 0.02408441 0.83686157 1.0 Fe Fe8 1 0.18722184 0.68722184 0.16313843 1.0 Fe Fe9 1 0.47591559 0.97591559 0.16313843 1.0 Fe Fe10 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe11 1 0.97591559 0.81277816 0.50000000 1.0 B B12 1 0.88075977 0.38075977 0.26151953 1.0 B B13 1 0.38075977 0.11924023 0.50000000 1.0 B B14 1 0.11924023 0.61924023 0.73848047 1.0 B B15 1 0.61924023 0.88075977 0.50000000 1.0