# generated using pymatgen data_Ta10Al3Ir2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.85319718 _cell_length_b 9.85319718 _cell_length_c 5.17150092 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta10Al3Ir2 _chemical_formula_sum 'Ta20 Al6 Ir4' _cell_volume 502.07772525 _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 Ta Ta0 1 0.39938526 0.39284497 0.00000000 1.0 Ta Ta1 1 0.89284497 0.10061474 0.50000000 1.0 Ta Ta2 1 0.10715503 0.89938526 0.50000000 1.0 Ta Ta3 1 0.60061474 0.60715503 0.00000000 1.0 Ta Ta4 1 0.13032310 0.46543487 0.00000000 1.0 Ta Ta5 1 0.96543487 0.36967690 0.50000000 1.0 Ta Ta6 1 0.03456513 0.63032310 0.50000000 1.0 Ta Ta7 1 0.86967690 0.53456513 0.00000000 1.0 Ta Ta8 1 0.37313504 0.96488173 0.50000000 1.0 Ta Ta9 1 0.62686496 0.03511827 0.50000000 1.0 Ta Ta10 1 0.46488173 0.12686496 0.00000000 1.0 Ta Ta11 1 0.53511827 0.87313504 0.00000000 1.0 Ta Ta12 1 0.18353716 0.18331736 0.25018504 1.0 Ta Ta13 1 0.68331736 0.31646284 0.75018504 1.0 Ta Ta14 1 0.31668264 0.68353716 0.75018504 1.0 Ta Ta15 1 0.81646284 0.81668264 0.25018504 1.0 Ta Ta16 1 0.31668264 0.68353716 0.24981496 1.0 Ta Ta17 1 0.68331736 0.31646284 0.24981496 1.0 Ta Ta18 1 0.18353716 0.18331736 0.74981496 1.0 Ta Ta19 1 0.81646284 0.81668264 0.74981496 1.0 Al Al20 1 0.00000000 0.00000000 0.00000000 1.0 Al Al21 1 0.50000000 0.50000000 0.50000000 1.0 Al Al22 1 0.24166680 0.43372672 0.50000000 1.0 Al Al23 1 0.75833320 0.56627328 0.50000000 1.0 Al Al24 1 0.93372672 0.25833320 0.00000000 1.0 Al Al25 1 0.06627328 0.74166680 0.00000000 1.0 Ir Ir26 1 0.25878459 0.93401718 0.00000000 1.0 Ir Ir27 1 0.43401718 0.24121541 0.50000000 1.0 Ir Ir28 1 0.56598282 0.75878459 0.50000000 1.0 Ir Ir29 1 0.74121541 0.06598282 0.00000000 1.0