# generated using pymatgen data_Zr6Zn23B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61870997 _cell_length_b 8.61871029 _cell_length_c 8.61871018 _cell_angle_alpha 60.00000043 _cell_angle_beta 59.99999922 _cell_angle_gamma 59.99999428 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Zn23B _chemical_formula_sum 'Zr6 Zn23 B1' _cell_volume 452.70136928 _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 0.69664555 0.30335445 0.30335445 1.0 Zr Zr1 1 0.30335445 0.69664555 0.69664555 1.0 Zr Zr2 1 0.30335445 0.69664555 0.30335445 1.0 Zr Zr3 1 0.69664555 0.30335445 0.69664555 1.0 Zr Zr4 1 0.30335445 0.30335445 0.69664555 1.0 Zr Zr5 1 0.69664555 0.69664555 0.30335445 1.0 Zn Zn6 1 0.12177041 0.12177041 0.12177041 1.0 Zn Zn7 1 0.87822959 0.87822959 0.87822959 1.0 Zn Zn8 1 0.12177041 0.12177041 0.63468976 1.0 Zn Zn9 1 0.12177041 0.63468976 0.12177041 1.0 Zn Zn10 1 0.87822959 0.87822959 0.36531024 1.0 Zn Zn11 1 0.87822959 0.36531024 0.87822959 1.0 Zn Zn12 1 0.63468976 0.12177041 0.12177041 1.0 Zn Zn13 1 0.36531024 0.87822959 0.87822959 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 0.33159365 0.33159365 0.33159365 1.0 Zn Zn21 1 0.66840635 0.66840635 0.66840635 1.0 Zn Zn22 1 0.33159365 0.33159365 0.00522004 1.0 Zn Zn23 1 0.33159365 0.00522004 0.33159365 1.0 Zn Zn24 1 0.66840635 0.66840635 0.99477996 1.0 Zn Zn25 1 0.66840635 0.99477996 0.66840635 1.0 Zn Zn26 1 0.00522004 0.33159365 0.33159365 1.0 Zn Zn27 1 0.99477996 0.66840635 0.66840635 1.0 Zn Zn28 1 0.00000000 0.00000000 0.00000000 1.0 B B29 1 0.50000000 0.50000000 0.50000000 1.0