# generated using pymatgen data_LiTh4Al23Pt9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.58379267 _cell_length_b 7.59569052 _cell_length_c 13.14677619 _cell_angle_alpha 84.54311826 _cell_angle_beta 79.06836574 _cell_angle_gamma 59.88493928 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTh4Al23Pt9 _chemical_formula_sum 'Li1 Th4 Al23 Pt9' _cell_volume 643.19979222 _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 0.68503477 0.83491272 0.94742142 1.0 Th Th1 1 0.39533411 0.16730129 0.80734724 1.0 Th Th2 1 0.60648192 0.83191478 0.19052302 1.0 Th Th3 1 0.73443033 0.49893072 0.80742621 1.0 Th Th4 1 0.26562484 0.50192661 0.19247014 1.0 Al Al5 1 0.31917298 0.16013724 0.05134198 1.0 Al Al6 1 0.14638914 0.83264260 0.56009230 1.0 Al Al7 1 0.85361594 0.16728060 0.44062439 1.0 Al Al8 1 0.48355286 0.16539614 0.55733538 1.0 Al Al9 1 0.51917502 0.83329348 0.44248928 1.0 Al Al10 1 0.21127821 0.16507498 0.33499026 1.0 Al Al11 1 0.79030538 0.83439704 0.66848915 1.0 Al Al12 1 0.43461661 0.51128012 0.66605895 1.0 Al Al13 1 0.56534558 0.48942221 0.33489039 1.0 Al Al14 1 0.11222148 0.15453916 0.66421816 1.0 Al Al15 1 0.88787960 0.84513625 0.33632983 1.0 Al Al16 1 0.34827839 0.50375274 0.94589218 1.0 Al Al17 1 0.65261002 0.50253248 0.05144581 1.0 Al Al18 1 0.01406445 0.16442113 0.95942747 1.0 Al Al19 1 0.98043036 0.83509739 0.03523407 1.0 Al Al20 1 0.18655490 0.49923294 0.44289131 1.0 Al Al21 1 0.81499152 0.50192117 0.55745255 1.0 Al Al22 1 0.73820094 0.16551984 0.18214333 1.0 Al Al23 1 0.26117381 0.83701656 0.81742397 1.0 Al Al24 1 0.05569270 0.63738249 0.81770201 1.0 Al Al25 1 0.94120274 0.36281620 0.18397711 1.0 Al Al26 1 0.85670266 0.03541286 0.81922578 1.0 Al Al27 1 0.13734817 0.96168004 0.18316906 1.0 Pt Pt28 1 0.12358531 0.48972789 0.63813569 1.0 Pt Pt29 1 0.87955776 0.50861311 0.36136816 1.0 Pt Pt30 1 0.65466716 0.18035518 0.00032693 1.0 Pt Pt31 1 0.33490437 0.82695170 0.00230475 1.0 Pt Pt32 1 0.53709063 0.16706998 0.36130042 1.0 Pt Pt33 1 0.46344509 0.83297620 0.63803389 1.0 Pt Pt34 1 0.77990436 0.17681294 0.63741003 1.0 Pt Pt35 1 0.22160372 0.82463823 0.36269932 1.0 Pt Pt36 1 0.00753117 0.49248300 0.00038907 1.0