# generated using pymatgen data_Li5Sc4(P4Rh5)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84275339 _cell_length_b 10.50945191 _cell_length_c 12.62180802 _cell_angle_alpha 90.29827106 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5Sc4(P4Rh5)3 _chemical_formula_sum 'Li5 Sc4 P12 Rh15' _cell_volume 509.72773719 _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 0.25000000 0.71044449 0.99744649 1.0 Li Li1 1 0.25000000 0.79204042 0.49339135 1.0 Li Li2 1 0.75000000 0.28994663 0.00564165 1.0 Li Li3 1 0.75000000 0.20658424 0.51313711 1.0 Li Li4 1 0.25000000 0.40753398 0.49282004 1.0 Sc Sc5 1 0.25000000 0.57540662 0.70832629 1.0 Sc Sc6 1 0.25000000 0.92774401 0.20269462 1.0 Sc Sc7 1 0.75000000 0.42845175 0.29615625 1.0 Sc Sc8 1 0.75000000 0.07039522 0.79436715 1.0 P P9 1 0.25000000 0.43168035 0.11695850 1.0 P P10 1 0.25000000 0.07061911 0.61748601 1.0 P P11 1 0.75000000 0.56934297 0.88357019 1.0 P P12 1 0.75000000 0.93778230 0.38121995 1.0 P P13 1 0.25000000 0.25401230 0.85547523 1.0 P P14 1 0.25000000 0.24781302 0.34423326 1.0 P P15 1 0.75000000 0.74368333 0.14754930 1.0 P P16 1 0.75000000 0.75187115 0.64109963 1.0 P P17 1 0.25000000 0.60163100 0.39350129 1.0 P P18 1 0.25000000 0.89551025 0.88636041 1.0 P P19 1 0.75000000 0.40058259 0.61861523 1.0 P P20 1 0.75000000 0.09828814 0.10499134 1.0 Rh Rh21 1 0.25000000 0.08988023 0.97026251 1.0 Rh Rh22 1 0.75000000 0.58341977 0.51752081 1.0 Rh Rh23 1 0.75000000 0.90167234 0.02662263 1.0 Rh Rh24 1 0.25000000 0.22947972 0.16411684 1.0 Rh Rh25 1 0.25000000 0.27356832 0.67070965 1.0 Rh Rh26 1 0.75000000 0.76698287 0.82491943 1.0 Rh Rh27 1 0.75000000 0.73858756 0.32891174 1.0 Rh Rh28 1 0.25000000 0.87559314 0.70006855 1.0 Rh Rh29 1 0.25000000 0.61960482 0.20964101 1.0 Rh Rh30 1 0.75000000 0.12616803 0.29267242 1.0 Rh Rh31 1 0.75000000 0.37412919 0.79997879 1.0 Rh Rh32 1 0.25000000 0.45759532 0.93425682 1.0 Rh Rh33 1 0.25000000 0.05115532 0.43245911 1.0 Rh Rh34 1 0.75000000 0.54423780 0.06863625 1.0 Rh Rh35 1 0.75000000 0.95656272 0.56418018 1.0