# generated using pymatgen data_Th2Al9TcIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.59987542 _cell_length_b 7.59987106 _cell_length_c 9.50901434 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.90179109 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Al9TcIr2 _chemical_formula_sum 'Th4 Al18 Tc2 Ir4' _cell_volume 485.37579966 _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 0.99355728 0.68773539 0.75000000 1.0 Th Th1 1 0.00644272 0.31226461 0.25000000 1.0 Th Th2 1 0.68773639 0.99355728 0.75000000 1.0 Th Th3 1 0.31226361 0.00644272 0.25000000 1.0 Al Al4 1 0.14515696 0.14515696 0.75000000 1.0 Al Al5 1 0.85484304 0.85484304 0.25000000 1.0 Al Al6 1 0.00800588 0.34369660 0.57691619 1.0 Al Al7 1 0.99199412 0.65630340 0.42308381 1.0 Al Al8 1 0.99199412 0.65630340 0.07691619 1.0 Al Al9 1 0.34369660 0.00800588 0.92308381 1.0 Al Al10 1 0.00800588 0.34369660 0.92308381 1.0 Al Al11 1 0.65630340 0.99199412 0.07691619 1.0 Al Al12 1 0.65630340 0.99199412 0.42308381 1.0 Al Al13 1 0.34369660 0.00800588 0.57691619 1.0 Al Al14 1 0.33399556 0.33399556 0.03187405 1.0 Al Al15 1 0.66600444 0.66600444 0.96812595 1.0 Al Al16 1 0.66600444 0.66600444 0.53187405 1.0 Al Al17 1 0.33399556 0.33399556 0.46812595 1.0 Al Al18 1 0.34498581 0.55385569 0.75000000 1.0 Al Al19 1 0.65501419 0.44614431 0.25000000 1.0 Al Al20 1 0.55385569 0.34498581 0.75000000 1.0 Al Al21 1 0.44614431 0.65501419 0.25000000 1.0 Tc Tc22 1 0.00000000 0.00000000 0.50000000 1.0 Tc Tc23 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir24 1 0.67233520 0.32766480 0.50000000 1.0 Ir Ir25 1 0.32766480 0.67233520 0.50000000 1.0 Ir Ir26 1 0.32766480 0.67233520 0.00000000 1.0 Ir Ir27 1 0.67233520 0.32766480 0.00000000 1.0