# generated using pymatgen data_Pr10C4Br15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.21909206 _cell_length_b 10.21502879 _cell_length_c 11.13760902 _cell_angle_alpha 70.31438896 _cell_angle_beta 66.26487453 _cell_angle_gamma 70.80357231 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr10C4Br15 _chemical_formula_sum 'Pr10 C4 Br15' _cell_volume 881.02393640 _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 0.33454073 0.75191283 0.83092429 1.0 Pr Pr1 1 0.66545927 0.24808717 0.16907571 1.0 Pr Pr2 1 0.17072656 0.42971506 0.04601069 1.0 Pr Pr3 1 0.82927344 0.57028494 0.95398931 1.0 Pr Pr4 1 0.07915048 0.17881086 0.88711272 1.0 Pr Pr5 1 0.92084952 0.82118914 0.11288728 1.0 Pr Pr6 1 0.24730272 0.53999833 0.64353614 1.0 Pr Pr7 1 0.75269728 0.46000167 0.35646386 1.0 Pr Pr8 1 0.02837607 0.10281416 0.26534347 1.0 Pr Pr9 1 0.97162393 0.89718584 0.73465653 1.0 C C10 1 0.87972991 0.35904157 0.17174047 1.0 C C11 1 0.12027009 0.64095843 0.82825953 1.0 C C12 1 0.95590426 0.29547277 0.06157460 1.0 C C13 1 0.04409574 0.70452723 0.93842540 1.0 Br Br14 1 0.50000000 0.50000000 0.00000000 1.0 Br Br15 1 0.13296950 0.81404558 0.46673402 1.0 Br Br16 1 0.86703050 0.18595442 0.53326598 1.0 Br Br17 1 0.25785602 0.02794668 0.64337724 1.0 Br Br18 1 0.74214398 0.97205332 0.35662276 1.0 Br Br19 1 0.33713174 0.16590453 0.22103309 1.0 Br Br20 1 0.66286826 0.83409547 0.77896691 1.0 Br Br21 1 0.45152722 0.36767044 0.41428819 1.0 Br Br22 1 0.54847278 0.63232956 0.58571181 1.0 Br Br23 1 0.94675029 0.44332076 0.70197205 1.0 Br Br24 1 0.05324971 0.55667924 0.29802795 1.0 Br Br25 1 0.23497490 0.90694083 0.06193875 1.0 Br Br26 1 0.76502510 0.09305917 0.93806125 1.0 Br Br27 1 0.38823171 0.27064483 0.81654840 1.0 Br Br28 1 0.61176829 0.72935517 0.18345160 1.0