# generated using pymatgen data_Zr2Be25B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03721657 _cell_length_b 7.03721718 _cell_length_c 7.03721582 _cell_angle_alpha 59.99999698 _cell_angle_beta 59.99999409 _cell_angle_gamma 59.99999622 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Be25B _chemical_formula_sum 'Zr2 Be25 B1' _cell_volume 246.42666593 _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 Zr Zr0 1 0.25000000 0.25000000 0.25000000 1.0 Zr Zr1 1 0.75000000 0.75000000 0.75000000 1.0 Be Be2 1 0.00000000 0.00000000 0.00000000 1.0 Be Be3 1 0.21181124 0.78818876 0.43791404 1.0 Be Be4 1 0.93835075 0.29441153 0.70558847 1.0 Be Be5 1 0.70558847 0.06164925 0.93835075 1.0 Be Be6 1 0.93835075 0.06164925 0.29441153 1.0 Be Be7 1 0.06164925 0.93835075 0.70558847 1.0 Be Be8 1 0.06164925 0.29441153 0.93835075 1.0 Be Be9 1 0.70558847 0.93835075 0.29441153 1.0 Be Be10 1 0.43791404 0.78818876 0.56208596 1.0 Be Be11 1 0.56208596 0.78818876 0.21181124 1.0 Be Be12 1 0.78818876 0.56208596 0.43791404 1.0 Be Be13 1 0.56208596 0.21181124 0.43791404 1.0 Be Be14 1 0.78818876 0.43791404 0.21181124 1.0 Be Be15 1 0.43791404 0.21181124 0.78818876 1.0 Be Be16 1 0.21181124 0.56208596 0.78818876 1.0 Be Be17 1 0.21181124 0.43791404 0.56208596 1.0 Be Be18 1 0.70558847 0.29441153 0.06164925 1.0 Be Be19 1 0.29441153 0.93835075 0.06164925 1.0 Be Be20 1 0.29441153 0.06164925 0.70558847 1.0 Be Be21 1 0.93835075 0.70558847 0.06164925 1.0 Be Be22 1 0.06164925 0.70558847 0.29441153 1.0 Be Be23 1 0.29441153 0.70558847 0.93835075 1.0 Be Be24 1 0.43791404 0.56208596 0.21181124 1.0 Be Be25 1 0.78818876 0.21181124 0.56208596 1.0 Be Be26 1 0.56208596 0.43791404 0.78818876 1.0 B B27 1 0.50000000 0.50000000 0.50000000 1.0