# generated using pymatgen data_LiTh3(Al8Pt3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53168500 _cell_length_b 7.55187938 _cell_length_c 13.17340188 _cell_angle_alpha 84.61754936 _cell_angle_beta 79.09731837 _cell_angle_gamma 59.99307396 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTh3(Al8Pt3)3 _chemical_formula_sum 'Li1 Th3 Al24 Pt9' _cell_volume 637.13956999 _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 Li Li0 1 0.25639488 0.49727760 0.21749398 1.0 Th Th1 1 0.39360560 0.16991025 0.80857060 1.0 Th Th2 1 0.60537102 0.83259625 0.19263380 1.0 Th Th3 1 0.73237409 0.49742069 0.80861660 1.0 Al Al4 1 0.68947836 0.83436533 0.94672754 1.0 Al Al5 1 0.31236001 0.17713314 0.05960800 1.0 Al Al6 1 0.14700048 0.83259108 0.55717043 1.0 Al Al7 1 0.85313437 0.16806058 0.43762446 1.0 Al Al8 1 0.48123348 0.16672588 0.55582053 1.0 Al Al9 1 0.51993342 0.83301804 0.44197068 1.0 Al Al10 1 0.21289171 0.17431409 0.32852287 1.0 Al Al11 1 0.78922565 0.83371456 0.66331111 1.0 Al Al12 1 0.43573147 0.51061195 0.66243421 1.0 Al Al13 1 0.55804996 0.48896232 0.32742221 1.0 Al Al14 1 0.11270898 0.15558662 0.66193098 1.0 Al Al15 1 0.90024871 0.83516776 0.33002925 1.0 Al Al16 1 0.34299698 0.50543693 0.95660428 1.0 Al Al17 1 0.63703387 0.49964789 0.05989542 1.0 Al Al18 1 0.01236339 0.16378722 0.96264481 1.0 Al Al19 1 0.98990830 0.82749298 0.05047336 1.0 Al Al20 1 0.18784022 0.49863586 0.43914257 1.0 Al Al21 1 0.81547022 0.49999887 0.55566188 1.0 Al Al22 1 0.73479687 0.16475969 0.18166195 1.0 Al Al23 1 0.26218975 0.83514546 0.81632454 1.0 Al Al24 1 0.06398040 0.63437424 0.81430044 1.0 Al Al25 1 0.94004131 0.36912098 0.18267797 1.0 Al Al26 1 0.86309898 0.03575354 0.81507807 1.0 Al Al27 1 0.14567037 0.95547852 0.18128000 1.0 Pt Pt28 1 0.12065184 0.49173271 0.63676858 1.0 Pt Pt29 1 0.87675251 0.50812350 0.36082484 1.0 Pt Pt30 1 0.65965317 0.17070196 0.99697215 1.0 Pt Pt31 1 0.34511641 0.83303599 0.99681992 1.0 Pt Pt32 1 0.54146583 0.16329349 0.36114032 1.0 Pt Pt33 1 0.46308895 0.83296018 0.63739919 1.0 Pt Pt34 1 0.77931459 0.17458967 0.63588956 1.0 Pt Pt35 1 0.22184112 0.82819096 0.36149919 1.0 Pt Pt36 1 0.99697473 0.50027921 0.99704771 1.0