# generated using pymatgen data_BeNb2Fe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78974626 _cell_length_b 4.75861923 _cell_length_c 4.75861988 _cell_angle_alpha 59.99999547 _cell_angle_beta 60.21473830 _cell_angle_gamma 60.21472461 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNb2Fe3 _chemical_formula_sum 'Be1 Nb2 Fe3' _cell_volume 76.94164009 _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 Be Be0 1 0.87500000 0.37500000 0.37500000 1.0 Nb Nb1 1 0.74846946 0.75051018 0.75051018 1.0 Nb Nb2 1 0.00153054 0.99948982 0.99948982 1.0 Fe Fe3 1 0.37500000 0.87500000 0.37500000 1.0 Fe Fe4 1 0.37500000 0.37500000 0.87500000 1.0 Fe Fe5 1 0.37500000 0.37500000 0.37500000 1.0