# generated using pymatgen data_Pr3CoBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.40407294 _cell_length_b 10.34548705 _cell_length_c 10.37441895 _cell_angle_alpha 109.39346784 _cell_angle_beta 109.68037493 _cell_angle_gamma 109.51088196 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3CoBr3 _chemical_formula_sum 'Pr12 Co4 Br12' _cell_volume 857.77601923 _cell_formula_units_Z 4 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 0.46736615 0.48219992 0.23170678 1.0 Pr Pr1 1 0.74966386 0.23384350 0.26822791 1.0 Pr Pr2 1 0.75070955 0.01915790 0.48497915 1.0 Pr Pr3 1 0.23169710 0.46339624 0.48169112 1.0 Pr Pr4 1 0.27254252 0.75025661 0.23015230 1.0 Pr Pr5 1 0.03303352 0.26496437 0.01542542 1.0 Pr Pr6 1 0.01883166 0.03766032 0.26882655 1.0 Pr Pr7 1 0.47771072 0.75024980 0.02009949 1.0 Pr Pr8 1 0.48418181 0.23386486 0.46561365 1.0 Pr Pr9 1 0.01483761 0.48221660 0.75050551 1.0 Pr Pr10 1 0.26844377 0.01917416 0.03418198 1.0 Pr Pr11 1 0.23192931 0.26496185 0.74955292 1.0 Co Co12 1 0.25269024 0.25056314 0.24740953 1.0 Co Co13 1 0.50158350 0.00317743 0.25158542 1.0 Co Co14 1 0.99786730 0.25056355 0.50315347 1.0 Co Co15 1 0.24796091 0.49592380 0.99796408 1.0 Br Br16 1 0.24762814 0.75382409 0.74110919 1.0 Br Br17 1 0.51104514 0.50564858 0.75613714 1.0 Br Br18 1 0.99003749 0.74766605 0.99709569 1.0 Br Br19 1 0.74182086 0.24982542 0.75768506 1.0 Br Br20 1 0.99136377 0.98271209 0.74135763 1.0 Br Br21 1 0.24984050 0.99252073 0.50341921 1.0 Br Br22 1 0.75808418 0.51617678 0.50809059 1.0 Br Br23 1 0.50803439 0.24984253 0.99216613 1.0 Br Br24 1 0.75759584 0.74763685 0.25058175 1.0 Br Br25 1 0.74266447 0.99246440 0.98905923 1.0 Br Br26 1 0.99461987 0.50568358 0.24950309 1.0 Br Br27 1 0.50621483 0.75382487 0.51272304 1.0