# generated using pymatgen data_Zr6Al16Ni2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.60146504 _cell_length_b 8.69532318 _cell_length_c 8.60145605 _cell_angle_alpha 59.63876390 _cell_angle_beta 60.72292893 _cell_angle_gamma 59.63889278 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Al16Ni2Ir5 _chemical_formula_sum 'Zr6 Al16 Ni2 Ir5' _cell_volume 454.79180050 _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 0.69795881 0.69794236 0.30204214 1.0 Zr Zr1 1 0.32588397 0.67411599 0.32588497 1.0 Zr Zr2 1 0.69795786 0.30205864 0.30204119 1.0 Zr Zr3 1 0.30204119 0.30205764 0.69795786 1.0 Zr Zr4 1 0.67411603 0.32588401 0.67411503 1.0 Zr Zr5 1 0.30204214 0.69794136 0.69795881 1.0 Al Al6 1 0.88426196 0.87779225 0.36015010 1.0 Al Al7 1 0.87779038 0.36015712 0.87779038 1.0 Al Al8 1 0.36015010 0.87779125 0.88426196 1.0 Al Al9 1 0.87779789 0.88424865 0.87779789 1.0 Al Al10 1 0.11573804 0.12220775 0.63984990 1.0 Al Al11 1 0.12220962 0.63984288 0.12220962 1.0 Al Al12 1 0.63984990 0.12220875 0.11573804 1.0 Al Al13 1 0.12220211 0.11575135 0.12220211 1.0 Al Al14 1 0.67353996 0.66038365 0.00569277 1.0 Al Al15 1 0.66039183 0.00568914 0.66039183 1.0 Al Al16 1 0.00569277 0.66038365 0.67353996 1.0 Al Al17 1 0.66039089 0.67352914 0.66038989 1.0 Al Al18 1 0.32646004 0.33961635 0.99430723 1.0 Al Al19 1 0.33960817 0.99431086 0.33960817 1.0 Al Al20 1 0.99430723 0.33961635 0.32646004 1.0 Al Al21 1 0.33960911 0.32647086 0.33961011 1.0 Ni Ni22 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni23 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir24 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir25 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir26 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir27 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.00000000 1.0