# generated using pymatgen data_Zr6Zn22BPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63050797 _cell_length_b 8.63050736 _cell_length_c 8.63050814 _cell_angle_alpha 60.00000805 _cell_angle_beta 60.00001039 _cell_angle_gamma 60.00000246 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Zn22BPd _chemical_formula_sum 'Zr6 Zn22 B1 Pd1' _cell_volume 454.56304179 _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 0.69516138 0.30483862 0.30483862 1.0 Zr Zr1 1 0.30483862 0.69516138 0.69516138 1.0 Zr Zr2 1 0.30483862 0.69516138 0.30483862 1.0 Zr Zr3 1 0.69516138 0.30483862 0.69516138 1.0 Zr Zr4 1 0.30483862 0.30483862 0.69516138 1.0 Zr Zr5 1 0.69516138 0.69516138 0.30483862 1.0 Zn Zn6 1 0.12074306 0.12074306 0.12074306 1.0 Zn Zn7 1 0.87925694 0.87925694 0.87925694 1.0 Zn Zn8 1 0.12074306 0.12074306 0.63776983 1.0 Zn Zn9 1 0.12074306 0.63776983 0.12074306 1.0 Zn Zn10 1 0.87925694 0.87925694 0.36223017 1.0 Zn Zn11 1 0.87925694 0.36223017 0.87925694 1.0 Zn Zn12 1 0.63776983 0.12074306 0.12074306 1.0 Zn Zn13 1 0.36223017 0.87925694 0.87925694 1.0 Zn Zn14 1 0.50000000 0.00000000 0.00000000 1.0 Zn Zn15 1 0.00000000 0.50000000 0.50000000 1.0 Zn Zn16 1 0.00000000 0.50000000 0.00000000 1.0 Zn Zn17 1 0.50000000 0.00000000 0.50000000 1.0 Zn Zn18 1 0.00000000 0.00000000 0.50000000 1.0 Zn Zn19 1 0.50000000 0.50000000 0.00000000 1.0 Zn Zn20 1 0.33097103 0.33097103 0.33097103 1.0 Zn Zn21 1 0.66902897 0.66902897 0.66902897 1.0 Zn Zn22 1 0.33097103 0.33097103 0.00708590 1.0 Zn Zn23 1 0.33097103 0.00708590 0.33097103 1.0 Zn Zn24 1 0.66902897 0.66902897 0.99291410 1.0 Zn Zn25 1 0.66902897 0.99291410 0.66902897 1.0 Zn Zn26 1 0.00708590 0.33097103 0.33097103 1.0 Zn Zn27 1 0.99291410 0.66902897 0.66902897 1.0 B B28 1 0.50000000 0.50000000 0.50000000 1.0 Pd Pd29 1 0.00000000 0.00000000 0.00000000 1.0