# generated using pymatgen data_Sc4Al18NiIr5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41832602 _cell_length_b 7.41832740 _cell_length_c 9.22487801 _cell_angle_alpha 90.19387757 _cell_angle_beta 90.19388354 _cell_angle_gamma 120.04208971 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4Al18NiIr5 _chemical_formula_sum 'Sc4 Al18 Ni1 Ir5' _cell_volume 439.44938995 _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 Sc Sc0 1 0.99588465 0.66697103 0.75025413 1.0 Sc Sc1 1 0.00411535 0.33302897 0.24974587 1.0 Sc Sc2 1 0.66697103 0.99588465 0.75025413 1.0 Sc Sc3 1 0.33302897 0.00411535 0.24974587 1.0 Al Al4 1 0.11740066 0.11740066 0.74533190 1.0 Al Al5 1 0.88259934 0.88259934 0.25466810 1.0 Al Al6 1 0.99787112 0.33109633 0.57506813 1.0 Al Al7 1 0.00212888 0.66890367 0.42493187 1.0 Al Al8 1 0.00139487 0.66714271 0.07601846 1.0 Al Al9 1 0.33285729 0.99860513 0.92398154 1.0 Al Al10 1 0.99860513 0.33285729 0.92398154 1.0 Al Al11 1 0.66714271 0.00139487 0.07601846 1.0 Al Al12 1 0.66890367 0.00212888 0.42493187 1.0 Al Al13 1 0.33109633 0.99787112 0.57506813 1.0 Al Al14 1 0.33200993 0.33200993 0.05789572 1.0 Al Al15 1 0.66799007 0.66799007 0.94210428 1.0 Al Al16 1 0.67238307 0.67238307 0.55521516 1.0 Al Al17 1 0.32761693 0.32761693 0.44478484 1.0 Al Al18 1 0.33827233 0.54895084 0.74914544 1.0 Al Al19 1 0.66172767 0.45104916 0.25085456 1.0 Al Al20 1 0.54895084 0.33827233 0.74914544 1.0 Al Al21 1 0.45104916 0.66172767 0.25085456 1.0 Ni Ni22 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir23 1 0.67239199 0.32760801 0.50000000 1.0 Ir Ir24 1 0.32760801 0.67239199 0.50000000 1.0 Ir Ir25 1 0.32760603 0.67239397 0.00000000 1.0 Ir Ir26 1 0.67239397 0.32760603 1.00000000 1.0 Ir Ir27 1 0.00000000 0.00000000 0.00000000 1.0