# generated using pymatgen data_Zr6Al16Ni6Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.52090733 _cell_length_b 8.52090743 _cell_length_c 8.52090800 _cell_angle_alpha 60.00000543 _cell_angle_beta 60.00000504 _cell_angle_gamma 60.00000596 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Al16Ni6Ir _chemical_formula_sum 'Zr6 Al16 Ni6 Ir1' _cell_volume 437.46430412 _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 0.69206953 0.69206953 0.30793047 1.0 Zr Zr1 1 0.30793047 0.69206953 0.30793047 1.0 Zr Zr2 1 0.69206953 0.30793047 0.30793047 1.0 Zr Zr3 1 0.30793047 0.30793047 0.69206953 1.0 Zr Zr4 1 0.69206953 0.30793047 0.69206953 1.0 Zr Zr5 1 0.30793047 0.69206953 0.69206953 1.0 Al Al6 1 0.87930148 0.87930148 0.36209757 1.0 Al Al7 1 0.87930148 0.36209757 0.87930148 1.0 Al Al8 1 0.36209757 0.87930148 0.87930148 1.0 Al Al9 1 0.87930148 0.87930148 0.87930148 1.0 Al Al10 1 0.12069852 0.12069852 0.63790243 1.0 Al Al11 1 0.12069852 0.63790243 0.12069852 1.0 Al Al12 1 0.63790243 0.12069852 0.12069852 1.0 Al Al13 1 0.12069852 0.12069852 0.12069852 1.0 Al Al14 1 0.66667991 0.66667991 0.99995928 1.0 Al Al15 1 0.66667991 0.99995928 0.66667991 1.0 Al Al16 1 0.99995928 0.66667991 0.66667991 1.0 Al Al17 1 0.66667991 0.66667991 0.66667991 1.0 Al Al18 1 0.33332009 0.33332009 0.00004072 1.0 Al Al19 1 0.33332009 0.00004072 0.33332009 1.0 Al Al20 1 0.00004072 0.33332009 0.33332009 1.0 Al Al21 1 0.33332009 0.33332009 0.33332009 1.0 Ni Ni22 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni23 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni24 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni25 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni26 1 0.00000000 0.50000000 0.00000000 1.0 Ni Ni27 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir28 1 0.00000000 0.00000000 0.00000000 1.0