# generated using pymatgen data_Pr3Tm(Sc3Sn4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82653594 _cell_length_b 7.97338222 _cell_length_c 15.05089418 _cell_angle_alpha 90.03274432 _cell_angle_beta 89.40465636 _cell_angle_gamma 90.41430062 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3Tm(Sc3Sn4)2 _chemical_formula_sum 'Pr6 Tm2 Sc12 Sn16' _cell_volume 939.16006354 _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 Pr Pr0 1 0.98990761 0.17400116 0.09821313 1.0 Pr Pr1 1 0.01009239 0.82599884 0.90178687 1.0 Pr Pr2 1 0.50736589 0.67242787 0.90472366 1.0 Pr Pr3 1 0.00965702 0.82116829 0.59398325 1.0 Pr Pr4 1 0.49263411 0.32757213 0.09527634 1.0 Pr Pr5 1 0.99034298 0.17883171 0.40601675 1.0 Tm Tm6 1 0.48233606 0.32401451 0.40334244 1.0 Tm Tm7 1 0.51766394 0.67598549 0.59665756 1.0 Sc Sc8 1 0.18162810 0.49553030 0.74642590 1.0 Sc Sc9 1 0.81837190 0.50446970 0.25357410 1.0 Sc Sc10 1 0.31996233 0.99362120 0.25192209 1.0 Sc Sc11 1 0.68003767 0.00637880 0.74807791 1.0 Sc Sc12 1 0.34952858 0.16308088 0.62488775 1.0 Sc Sc13 1 0.65047142 0.83691912 0.37511225 1.0 Sc Sc14 1 0.14821120 0.65844431 0.37789621 1.0 Sc Sc15 1 0.65250234 0.83878575 0.12829347 1.0 Sc Sc16 1 0.85178880 0.34155569 0.62210379 1.0 Sc Sc17 1 0.34749766 0.16121425 0.87170653 1.0 Sc Sc18 1 0.84456680 0.33728438 0.87365602 1.0 Sc Sc19 1 0.15543320 0.66271562 0.12634398 1.0 Sn Sn20 1 0.04221603 0.13549675 0.74737928 1.0 Sn Sn21 1 0.95778397 0.86450325 0.25262072 1.0 Sn Sn22 1 0.45502432 0.63032607 0.25196011 1.0 Sn Sn23 1 0.54497568 0.36967393 0.74803989 1.0 Sn Sn24 1 0.32159139 0.85523520 0.74639525 1.0 Sn Sn25 1 0.67840861 0.14476480 0.25360475 1.0 Sn Sn26 1 0.18641837 0.35833903 0.25159175 1.0 Sn Sn27 1 0.81358163 0.64166097 0.74840825 1.0 Sn Sn28 1 0.20405038 0.45791090 0.54270118 1.0 Sn Sn29 1 0.79594962 0.54208910 0.45729882 1.0 Sn Sn30 1 0.31978397 0.95649770 0.45687046 1.0 Sn Sn31 1 0.82164626 0.54970875 0.04349315 1.0 Sn Sn32 1 0.68021603 0.04350230 0.54312954 1.0 Sn Sn33 1 0.17835374 0.45029125 0.95650685 1.0 Sn Sn34 1 0.68069961 0.04336142 0.95653218 1.0 Sn Sn35 1 0.31930039 0.95663858 0.04346782 1.0