# generated using pymatgen data_Nb6Al16Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.54118340 _cell_length_b 8.54118351 _cell_length_c 8.54118308 _cell_angle_alpha 59.99999787 _cell_angle_beta 59.99999743 _cell_angle_gamma 59.99999872 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb6Al16Ir7 _chemical_formula_sum 'Nb6 Al16 Ir7' _cell_volume 440.59454253 _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 Nb Nb0 1 0.68358762 0.31641238 0.31641238 1.0 Nb Nb1 1 0.31641238 0.68358762 0.68358762 1.0 Nb Nb2 1 0.31641238 0.68358762 0.31641238 1.0 Nb Nb3 1 0.68358762 0.31641238 0.68358762 1.0 Nb Nb4 1 0.31641238 0.31641238 0.68358762 1.0 Nb Nb5 1 0.68358762 0.68358762 0.31641238 1.0 Al Al6 1 0.33742935 0.33742935 0.33742935 1.0 Al Al7 1 0.66257065 0.66257065 0.66257065 1.0 Al Al8 1 0.33742935 0.33742935 0.98771096 1.0 Al Al9 1 0.33742935 0.98771096 0.33742935 1.0 Al Al10 1 0.66257065 0.66257065 0.01228904 1.0 Al Al11 1 0.66257065 0.01228904 0.66257065 1.0 Al Al12 1 0.98771096 0.33742935 0.33742935 1.0 Al Al13 1 0.01228904 0.66257065 0.66257065 1.0 Al Al14 1 0.11986909 0.11986909 0.11986909 1.0 Al Al15 1 0.88013091 0.88013091 0.88013091 1.0 Al Al16 1 0.11986909 0.11986909 0.64039173 1.0 Al Al17 1 0.11986909 0.64039173 0.11986909 1.0 Al Al18 1 0.88013091 0.88013091 0.35960827 1.0 Al Al19 1 0.88013091 0.35960827 0.88013091 1.0 Al Al20 1 0.64039173 0.11986909 0.11986909 1.0 Al Al21 1 0.35960827 0.88013091 0.88013091 1.0 Ir Ir22 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir24 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir25 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir26 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir27 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir28 1 0.00000000 0.00000000 0.00000000 1.0