# generated using pymatgen data_Zr6Zn18SiIr5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68849064 _cell_length_b 8.68849016 _cell_length_c 8.68849052 _cell_angle_alpha 59.86429133 _cell_angle_beta 59.86429026 _cell_angle_gamma 59.86429211 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Zn18SiIr5 _chemical_formula_sum 'Zr6 Zn18 Si1 Ir5' _cell_volume 462.35815592 _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 0.71078372 0.28280030 0.28280030 1.0 Zr Zr1 1 0.28921628 0.71719970 0.71719970 1.0 Zr Zr2 1 0.28280030 0.71078372 0.28280030 1.0 Zr Zr3 1 0.71719970 0.28921628 0.71719970 1.0 Zr Zr4 1 0.28280030 0.28280030 0.71078372 1.0 Zr Zr5 1 0.71719970 0.71719970 0.28921628 1.0 Zn Zn6 1 0.12242454 0.12242454 0.62723164 1.0 Zn Zn7 1 0.12242454 0.62723164 0.12242454 1.0 Zn Zn8 1 0.87757546 0.87757546 0.37276836 1.0 Zn Zn9 1 0.87757546 0.37276836 0.87757546 1.0 Zn Zn10 1 0.62723164 0.12242454 0.12242454 1.0 Zn Zn11 1 0.37276836 0.87757546 0.87757546 1.0 Zn Zn12 1 0.50000000 0.00000000 0.00000000 1.0 Zn Zn13 1 0.00000000 0.50000000 0.00000000 1.0 Zn Zn14 1 0.00000000 0.00000000 0.50000000 1.0 Zn Zn15 1 0.33671379 0.33671379 0.33671379 1.0 Zn Zn16 1 0.66328621 0.66328621 0.66328621 1.0 Zn Zn17 1 0.33328384 0.33328384 0.98908175 1.0 Zn Zn18 1 0.33328384 0.98908175 0.33328384 1.0 Zn Zn19 1 0.66671616 0.66671616 0.01091825 1.0 Zn Zn20 1 0.66671616 0.01091825 0.66671616 1.0 Zn Zn21 1 0.98908175 0.33328384 0.33328384 1.0 Zn Zn22 1 0.01091825 0.66671616 0.66671616 1.0 Zn Zn23 1 0.00000000 0.00000000 0.00000000 1.0 Si Si24 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir25 1 0.11892587 0.11892587 0.11892587 1.0 Ir Ir26 1 0.88107413 0.88107413 0.88107413 1.0 Ir Ir27 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir29 1 0.50000000 0.50000000 0.00000000 1.0