# generated using pymatgen data_ThMnAl10Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81341637 _cell_length_b 6.81343555 _cell_length_c 9.07611137 _cell_angle_alpha 90.22980060 _cell_angle_beta 90.22969527 _cell_angle_gamma 97.48148901 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThMnAl10Ir _chemical_formula_sum 'Th2 Mn2 Al20 Ir2' _cell_volume 417.74367725 _cell_formula_units_Z 2 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 Th Th0 1 0.87325410 0.12676722 0.74998857 1.0 Th Th1 1 0.12674590 0.87323278 0.25001143 1.0 Mn Mn2 1 0.00000000 0.50000000 0.00000000 1.0 Mn Mn3 1 0.50000000 0.00000000 0.50000000 1.0 Al Al4 1 0.51691260 0.77846162 0.74363342 1.0 Al Al5 1 0.48308740 0.22153838 0.25636658 1.0 Al Al6 1 0.59344009 0.86171518 0.25405529 1.0 Al Al7 1 0.77794684 0.77032057 0.00349174 1.0 Al Al8 1 0.16516901 0.84400019 0.60171917 1.0 Al Al9 1 0.22205316 0.22967943 0.99650826 1.0 Al Al10 1 0.13828567 0.40656583 0.24594542 1.0 Al Al11 1 0.62626325 0.38172740 0.95021318 1.0 Al Al12 1 0.84400814 0.16516589 0.10171581 1.0 Al Al13 1 0.38173195 0.62626065 0.45020824 1.0 Al Al14 1 0.15599186 0.83483411 0.89828419 1.0 Al Al15 1 0.22154262 0.48309145 0.75635846 1.0 Al Al16 1 0.37373675 0.61827260 0.04978682 1.0 Al Al17 1 0.83483099 0.15599981 0.39828083 1.0 Al Al18 1 0.61826805 0.37373935 0.54979176 1.0 Al Al19 1 0.40655991 0.13828482 0.74594471 1.0 Al Al20 1 0.77845738 0.51690855 0.24364154 1.0 Al Al21 1 0.77032090 0.77795235 0.50349467 1.0 Al Al22 1 0.22967910 0.22204765 0.49650533 1.0 Al Al23 1 0.86171433 0.59343417 0.75405458 1.0 Ir Ir24 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir25 1 0.50000000 0.00000000 0.00000000 1.0