# generated using pymatgen data_Zr5BePb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.73665291 _cell_length_b 8.73665338 _cell_length_c 5.86218475 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000566 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5BePb3 _chemical_formula_sum 'Zr10 Be2 Pb6' _cell_volume 387.50766425 _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 Zr Zr0 1 0.66666700 0.33333300 0.50000000 1.0 Zr Zr1 1 0.33333300 0.66666700 0.50000000 1.0 Zr Zr2 1 0.33333300 0.66666700 0.00000000 1.0 Zr Zr3 1 0.66666700 0.33333300 0.00000000 1.0 Zr Zr4 1 0.75274744 0.75274744 0.25000000 1.0 Zr Zr5 1 0.24725256 0.00000000 0.25000000 1.0 Zr Zr6 1 0.00000000 0.24725256 0.25000000 1.0 Zr Zr7 1 0.24725256 0.24725256 0.75000000 1.0 Zr Zr8 1 0.75274744 1.00000000 0.75000000 1.0 Zr Zr9 1 1.00000000 0.75274744 0.75000000 1.0 Be Be10 1 0.00000000 0.00000000 0.50000000 1.0 Be Be11 1 0.00000000 0.00000000 0.00000000 1.0 Pb Pb12 1 0.38997561 0.38997561 0.25000000 1.0 Pb Pb13 1 0.61002439 1.00000000 0.25000000 1.0 Pb Pb14 1 1.00000000 0.61002439 0.25000000 1.0 Pb Pb15 1 0.61002439 0.61002439 0.75000000 1.0 Pb Pb16 1 0.38997561 0.00000000 0.75000000 1.0 Pb Pb17 1 0.00000000 0.38997561 0.75000000 1.0