# generated using pymatgen data_Pr9NdB2Br15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.38734430 _cell_length_b 10.26033293 _cell_length_c 11.03783437 _cell_angle_alpha 90.99026032 _cell_angle_beta 114.44721371 _cell_angle_gamma 111.12165166 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr9NdB2Br15 _chemical_formula_sum 'Pr9 Nd1 B2 Br15' _cell_volume 885.29090652 _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 0.80604610 0.41337660 0.27838032 1.0 Pr Pr1 1 0.19326301 0.58649688 0.72148645 1.0 Pr Pr2 1 0.67539431 0.74477121 0.81792185 1.0 Pr Pr3 1 0.32407026 0.25483420 0.18188747 1.0 Pr Pr4 1 0.52606606 0.70480833 0.09879863 1.0 Pr Pr5 1 0.47370134 0.29509001 0.90110523 1.0 Pr Pr6 1 0.58866956 0.03771303 0.32773185 1.0 Pr Pr7 1 0.41094815 0.96204029 0.67203269 1.0 Pr Pr8 1 0.72808722 0.07624186 0.04815869 1.0 Nd Nd9 1 0.27492731 0.92458019 0.95227886 1.0 B B10 1 0.46447912 0.81507290 0.87330730 1.0 B B11 1 0.53445038 0.18440736 0.12631017 1.0 Br Br12 1 0.00148658 0.99908078 0.99948938 1.0 Br Br13 1 0.63744730 0.88338899 0.58174233 1.0 Br Br14 1 0.36150563 0.11575142 0.41768132 1.0 Br Br15 1 0.88468118 0.29772255 0.53007056 1.0 Br Br16 1 0.11414027 0.70231839 0.46993666 1.0 Br Br17 1 0.28481956 0.76128767 0.17976032 1.0 Br Br18 1 0.71380263 0.23990610 0.81776039 1.0 Br Br19 1 0.05958144 0.34604445 0.22729724 1.0 Br Br20 1 0.15742202 0.05488132 0.70324235 1.0 Br Br21 1 0.84241940 0.94351279 0.29886583 1.0 Br Br22 1 0.23093448 0.40916200 0.94453103 1.0 Br Br23 1 0.76888691 0.59073574 0.05547011 1.0 Br Br24 1 0.40474891 0.46113477 0.65586546 1.0 Br Br25 1 0.59454668 0.53855799 0.34389547 1.0 Br Br26 1 0.94347517 0.65708019 0.77499205 1.0