# generated using pymatgen data_Pr12Si5Se28 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.69153396 _cell_length_b 10.69153396 _cell_length_c 24.41277600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999974 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr12Si5Se28 _chemical_formula_sum 'Pr24 Si10 Se56' _cell_volume 2416.72835953 _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 0.12997300 0.77990000 0.19422500 1.0 Pr Pr1 1 0.12534700 0.76241600 0.67957000 1.0 Pr Pr2 1 0.12455700 0.77335300 0.43515700 1.0 Pr Pr3 1 0.12986500 0.77094900 0.93499200 1.0 Pr Pr4 1 0.22010000 0.35007300 0.19422500 1.0 Pr Pr5 1 0.22664700 0.35120400 0.43515700 1.0 Pr Pr6 1 0.23758400 0.36293000 0.67957000 1.0 Pr Pr7 1 0.22905100 0.35891600 0.93499200 1.0 Pr Pr8 1 0.64992700 0.87002700 0.19422500 1.0 Pr Pr9 1 0.63707000 0.87465300 0.67957000 1.0 Pr Pr10 1 0.64879600 0.87544300 0.43515700 1.0 Pr Pr11 1 0.64108400 0.87013500 0.93499200 1.0 Pr Pr12 1 0.36767600 0.13573500 0.06737000 1.0 Pr Pr13 1 0.35240000 0.12805800 0.31333200 1.0 Pr Pr14 1 0.34430800 0.11935700 0.55267900 1.0 Pr Pr15 1 0.36053700 0.13045500 0.81143600 1.0 Pr Pr16 1 0.76805900 0.63232400 0.06737000 1.0 Pr Pr17 1 0.77565800 0.64760000 0.31333200 1.0 Pr Pr18 1 0.77504900 0.65569200 0.55267900 1.0 Pr Pr19 1 0.76991700 0.63946300 0.81143600 1.0 Pr Pr20 1 0.86426500 0.23194100 0.06737000 1.0 Pr Pr21 1 0.87194200 0.22434200 0.31333200 1.0 Pr Pr22 1 0.88064300 0.22495100 0.55267900 1.0 Pr Pr23 1 0.86954500 0.23008300 0.81143600 1.0 Si Si24 1 0.00000000 0.00000000 0.74213500 1.0 Si Si25 1 0.33333300 0.66666700 0.08302400 1.0 Si Si26 1 0.33333300 0.66666700 0.33349000 1.0 Si Si27 1 0.33333300 0.66666700 0.58015100 1.0 Si Si28 1 0.33333300 0.66666700 0.82953800 1.0 Si Si29 1 0.00000000 0.00000000 0.99496100 1.0 Si Si30 1 0.66666700 0.33333300 0.45698700 1.0 Si Si31 1 0.66666700 0.33333300 0.21131500 1.0 Si Si32 1 0.66666700 0.33333300 0.70578900 1.0 Si Si33 1 0.66666700 0.33333300 0.95961000 1.0 Se Se34 1 0.09319400 0.83645700 0.30722200 1.0 Se Se35 1 0.08528600 0.85873100 0.04632000 1.0 Se Se36 1 0.08546200 0.85144100 0.80069000 1.0 Se Se37 1 0.08869600 0.82923700 0.55906800 1.0 Se Se38 1 0.10682200 0.52528400 0.11887900 1.0 Se Se39 1 0.10712300 0.52197500 0.37048100 1.0 Se Se40 1 0.10604800 0.51564500 0.61840100 1.0 Se Se41 1 0.10734700 0.52086500 0.86734500 1.0 Se Se42 1 0.41846200 0.89317800 0.11887900 1.0 Se Se43 1 0.40959700 0.89395200 0.61840100 1.0 Se Se44 1 0.41485200 0.89287700 0.37048100 1.0 Se Se45 1 0.41351800 0.89265300 0.86734500 1.0 Se Se46 1 0.33333300 0.66666700 0.24009100 1.0 Se Se47 1 0.33333300 0.66666700 0.48871900 1.0 Se Se48 1 0.33333300 0.66666700 0.73769700 1.0 Se Se49 1 0.33333300 0.66666700 0.98912100 1.0 Se Se50 1 0.14126900 0.22655500 0.04632000 1.0 Se Se51 1 0.16354300 0.25673700 0.30722200 1.0 Se Se52 1 0.17076300 0.25946000 0.55906800 1.0 Se Se53 1 0.14855900 0.23402100 0.80069000 1.0 Se Se54 1 0.47471600 0.58153800 0.11887900 1.0 Se Se55 1 0.48435500 0.59040300 0.61840100 1.0 Se Se56 1 0.47802500 0.58514800 0.37048100 1.0 Se Se57 1 0.47913500 0.58648200 0.86734500 1.0 Se Se58 1 0.25867300 0.09604300 0.17861500 1.0 Se Se59 1 0.25703900 0.09075500 0.43254000 1.0 Se Se60 1 0.23028100 0.07889500 0.69115000 1.0 Se Se61 1 0.24292700 0.08687700 0.93348300 1.0 Se Se62 1 0.77344500 0.91471400 0.04632000 1.0 Se Se63 1 0.74326300 0.90680600 0.30722200 1.0 Se Se64 1 0.74054000 0.91130400 0.55906800 1.0 Se Se65 1 0.76597900 0.91453800 0.80069000 1.0 Se Se66 1 0.52257300 0.41665200 0.24618900 1.0 Se Se67 1 0.52130500 0.41411900 0.49472800 1.0 Se Se68 1 0.52167600 0.41458900 0.74450500 1.0 Se Se69 1 0.52086400 0.41543600 0.99483900 1.0 Se Se70 1 0.83737000 0.74132700 0.17861500 1.0 Se Se71 1 0.83371600 0.74296100 0.43254000 1.0 Se Se72 1 0.84861400 0.76971900 0.69115000 1.0 Se Se73 1 0.84395000 0.75707300 0.93348300 1.0 Se Se74 1 0.66666700 0.33333300 0.11700300 1.0 Se Se75 1 0.66666700 0.33333300 0.36473400 1.0 Se Se76 1 0.66666700 0.33333300 0.61461800 1.0 Se Se77 1 0.66666700 0.33333300 0.86636400 1.0 Se Se78 1 0.58334800 0.10592200 0.24618900 1.0 Se Se79 1 0.58588100 0.10718600 0.49472800 1.0 Se Se80 1 0.58541100 0.10708700 0.74450500 1.0 Se Se81 1 0.58456400 0.10542700 0.99483900 1.0 Se Se82 1 0.89407800 0.47742700 0.24618900 1.0 Se Se83 1 0.89281400 0.47869500 0.49472800 1.0 Se Se84 1 0.89291300 0.47832400 0.74450500 1.0 Se Se85 1 0.89457300 0.47913600 0.99483900 1.0 Se Se86 1 0.90395700 0.16263000 0.17861500 1.0 Se Se87 1 0.92110500 0.15138600 0.69115000 1.0 Se Se88 1 0.91312300 0.15605000 0.93348300 1.0 Se Se89 1 0.90924500 0.16628400 0.43254000 1.0