# generated using pymatgen data_Pr27Se40 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.80015582 _cell_length_b 12.73729339 _cell_length_c 19.62697503 _cell_angle_alpha 108.96708796 _cell_angle_beta 97.66108677 _cell_angle_gamma 89.75956508 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr27Se40 _chemical_formula_sum 'Pr27 Se40' _cell_volume 1826.06766561 _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 Pr Pr0 1 0.65663535 0.47443418 0.20061612 1.0 Pr Pr1 1 0.92264561 0.32550642 0.02417251 1.0 Pr Pr2 1 0.05440351 0.06835622 0.39517738 1.0 Pr Pr3 1 0.15461586 0.21694907 0.20046781 1.0 Pr Pr4 1 0.27670469 0.60429263 0.07342787 1.0 Pr Pr5 1 0.42786491 0.20551335 0.02254045 1.0 Pr Pr6 1 0.54349178 0.82389413 0.39402990 1.0 Pr Pr7 1 0.84823947 0.28073789 0.80354268 1.0 Pr Pr8 1 0.71467688 0.53064630 0.43113095 1.0 Pr Pr9 1 0.66344198 0.19120352 0.27526417 1.0 Pr Pr10 1 0.82676692 0.80544400 0.22380665 1.0 Pr Pr11 1 0.77256708 0.97172863 0.07441149 1.0 Pr Pr12 1 0.94844505 0.42473349 0.60248066 1.0 Pr Pr13 1 0.25671798 0.87861274 0.00794640 1.0 Pr Pr14 1 0.12675027 0.12589461 0.62692468 1.0 Pr Pr15 1 0.07943621 0.79771239 0.47770132 1.0 Pr Pr16 1 0.23229762 0.40765172 0.43063014 1.0 Pr Pr17 1 0.17825766 0.57427956 0.27399526 1.0 Pr Pr18 1 0.35020175 0.03451829 0.80111313 1.0 Pr Pr19 1 0.52189398 0.72356741 0.81848832 1.0 Pr Pr20 1 0.47061971 0.40395142 0.67785986 1.0 Pr Pr21 1 0.57955166 0.17720265 0.47469290 1.0 Pr Pr22 1 0.61984641 0.99150574 0.62404755 1.0 Pr Pr23 1 0.73750893 0.62094211 0.99380393 1.0 Pr Pr24 1 0.87922365 0.00165453 0.87637746 1.0 Pr Pr25 1 0.97473186 0.77034465 0.67175057 1.0 Pr Pr26 1 0.03122867 0.59120856 0.82389128 1.0 Se Se27 1 0.56334439 0.44131405 0.03470745 1.0 Se Se28 1 0.76133276 0.24112476 0.12952513 1.0 Se Se29 1 0.93283686 0.57358310 0.14319542 1.0 Se Se30 1 0.94948857 0.04373206 0.22870628 1.0 Se Se31 1 0.05630346 0.08793050 0.03169006 1.0 Se Se32 1 0.32783300 0.17924739 0.34540998 1.0 Se Se33 1 0.25515634 0.38474133 0.12994882 1.0 Se Se34 1 0.35691423 0.63978605 0.42579415 1.0 Se Se35 1 0.43481954 0.07195839 0.13719888 1.0 Se Se36 1 0.46243968 0.67993310 0.22752673 1.0 Se Se37 1 0.55652315 0.79609412 0.09802431 1.0 Se Se38 1 0.75481181 0.23948084 0.62872249 1.0 Se Se39 1 0.73270142 0.77072531 0.53604743 1.0 Se Se40 1 0.66391830 0.99173028 0.33189718 1.0 Se Se41 1 0.82856418 0.66870959 0.34188604 1.0 Se Se42 1 0.95375711 0.04550923 0.72988989 1.0 Se Se43 1 0.86420158 0.28577959 0.42829607 1.0 Se Se44 1 0.95930193 0.39845843 0.30042994 1.0 Se Se45 1 0.12618522 0.36369025 0.73777417 1.0 Se Se46 1 0.04647106 0.58482129 0.52862886 1.0 Se Se47 1 0.16231751 0.84427032 0.82675588 1.0 Se Se48 1 0.03947313 0.79746678 0.09713399 1.0 Se Se49 1 0.22913580 0.26969516 0.54130425 1.0 Se Se50 1 0.15745994 0.83465166 0.33083372 1.0 Se Se51 1 0.35782275 0.65176357 0.92972464 1.0 Se Se52 1 0.25654640 0.89497879 0.63169367 1.0 Se Se53 1 0.35767557 -0.00025191 0.49884434 1.0 Se Se54 1 0.52583042 0.97223285 0.94186352 1.0 Se Se55 1 0.46422147 0.18451851 0.72519881 1.0 Se Se56 1 0.45746446 0.39920211 0.29945021 1.0 Se Se57 1 0.56307742 0.43562586 0.53184665 1.0 Se Se58 1 0.63363178 0.87893808 0.74564613 1.0 Se Se59 1 0.66108787 0.49310883 0.82901816 1.0 Se Se60 1 0.76166830 0.60049470 0.70229933 1.0 Se Se61 1 0.85688319 0.78814753 0.92545916 1.0 Se Se62 1 0.86099104 0.00178418 0.50018237 1.0 Se Se63 1 0.02338051 0.47356218 0.94457900 1.0 Se Se64 1 0.14334075 0.19913048 0.90149368 1.0 Se Se65 1 0.24390079 0.59762951 0.69983026 1.0 Se Se66 1 0.65842386 0.19721292 0.90125352 1.0