# generated using pymatgen data_Ti6AlIn5Pd12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45042649 _cell_length_b 6.52417779 _cell_length_c 13.40488330 _cell_angle_alpha 90.00042560 _cell_angle_beta 89.99757741 _cell_angle_gamma 90.00016476 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6AlIn5Pd12 _chemical_formula_sum 'Ti6 Al1 In5 Pd12' _cell_volume 389.21579515 _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 Ti Ti0 1 0.99994940 0.99999582 0.99931709 1.0 Ti Ti1 1 0.50049377 0.50000690 0.16475229 1.0 Ti Ti2 1 0.00017878 0.00000377 0.33340551 1.0 Ti Ti3 1 0.49976217 0.50000485 0.50197459 1.0 Ti Ti4 1 0.99979046 0.00001067 0.66718843 1.0 Ti Ti5 1 0.49980505 0.49999364 0.83323385 1.0 Al Al6 1 0.49989307 0.99999295 0.83334293 1.0 In In7 1 0.99977465 0.49995267 0.99527847 1.0 In In8 1 0.50075882 0.99999638 0.16504674 1.0 In In9 1 0.00018277 0.50002196 0.33331218 1.0 In In10 1 0.49976723 0.00000932 0.50177222 1.0 In In11 1 0.99968820 0.50002554 0.67120975 1.0 Pd Pd12 1 0.49974564 0.23597397 0.98998123 1.0 Pd Pd13 1 0.49974137 0.76398122 0.98998719 1.0 Pd Pd14 1 0.00073784 0.25602185 0.16604557 1.0 Pd Pd15 1 0.00075535 0.74396275 0.16600552 1.0 Pd Pd16 1 0.50023036 0.25037476 0.33351070 1.0 Pd Pd17 1 0.50023625 0.74962643 0.33351527 1.0 Pd Pd18 1 0.99971549 0.25599130 0.50063447 1.0 Pd Pd19 1 0.99975959 0.74403270 0.50063127 1.0 Pd Pd20 1 0.49970953 0.23592594 0.67669707 1.0 Pd Pd21 1 0.49969599 0.76408816 0.67670645 1.0 Pd Pd22 1 0.99984068 0.22502832 0.83321922 1.0 Pd Pd23 1 0.99979254 0.77498013 0.83323200 1.0