# generated using pymatgen data_Zr6Al16Ir5Pt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68998508 _cell_length_b 8.69004082 _cell_length_c 8.74408469 _cell_angle_alpha 59.79384140 _cell_angle_beta 59.79378969 _cell_angle_gamma 60.27231694 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Al16Ir5Pt2 _chemical_formula_sum 'Zr6 Al16 Ir5 Pt2' _cell_volume 466.40141860 _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 0.67386963 0.67389355 0.32610833 1.0 Zr Zr1 1 0.30701720 0.69300642 0.30613321 1.0 Zr Zr2 1 0.69299384 0.30700515 0.30614698 1.0 Zr Zr3 1 0.32613037 0.32610645 0.67389167 1.0 Zr Zr4 1 0.69298280 0.30699358 0.69386679 1.0 Zr Zr5 1 0.30700616 0.69299485 0.69385302 1.0 Al Al6 1 0.87598112 0.87598283 0.36205314 1.0 Al Al7 1 0.87913346 0.36361754 0.87862601 1.0 Al Al8 1 0.36362356 0.87913218 0.87862333 1.0 Al Al9 1 0.87597835 0.87597966 0.88598463 1.0 Al Al10 1 0.12401888 0.12401717 0.63794686 1.0 Al Al11 1 0.12086654 0.63638246 0.12137399 1.0 Al Al12 1 0.63637644 0.12086782 0.12137667 1.0 Al Al13 1 0.12402165 0.12402034 0.11401537 1.0 Al Al14 1 0.66270457 0.66270113 0.00966583 1.0 Al Al15 1 0.66239133 0.00976850 0.66391599 1.0 Al Al16 1 0.00977561 0.66239127 0.66391759 1.0 Al Al17 1 0.66270249 0.66270418 0.66492150 1.0 Al Al18 1 0.33729543 0.33729887 0.99033417 1.0 Al Al19 1 0.33760867 0.99023150 0.33608401 1.0 Al Al20 1 0.99022439 0.33760873 0.33608241 1.0 Al Al21 1 0.33729751 0.33729582 0.33507850 1.0 Ir Ir22 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir23 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir24 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir25 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir26 1 0.50000000 0.00000000 0.00000000 1.0 Pt Pt27 1 0.00000000 0.00000000 0.00000000 1.0 Pt Pt28 1 0.00000000 0.00000000 0.50000000 1.0