# generated using pymatgen data_Cs2Nd10B2Br17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.29381303 _cell_length_b 10.88026571 _cell_length_c 10.87940014 _cell_angle_alpha 106.89920532 _cell_angle_beta 94.16983505 _cell_angle_gamma 94.16844720 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2Nd10B2Br17 _chemical_formula_sum 'Cs2 Nd10 B2 Br17' _cell_volume 1044.73714759 _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 Cs Cs0 1 0.00000013 0.82177052 0.17828805 1.0 Cs Cs1 1 0.99999753 0.17802121 0.82204996 1.0 Nd Nd2 1 0.43876614 0.16541958 0.16477089 1.0 Nd Nd3 1 0.56741401 0.51204906 0.21031829 1.0 Nd Nd4 1 0.82914525 0.29108194 0.29182223 1.0 Nd Nd5 1 0.31584150 0.43836990 0.43832926 1.0 Nd Nd6 1 0.43261416 0.78965849 0.48794950 1.0 Nd Nd7 1 0.56974903 0.21141700 0.51290724 1.0 Nd Nd8 1 0.68415697 0.56170693 0.56166149 1.0 Nd Nd9 1 0.17088436 0.70820784 0.70891244 1.0 Nd Nd10 1 0.43025669 0.48712381 0.78857578 1.0 Nd Nd11 1 0.56118528 0.83523689 0.83457343 1.0 B B12 1 0.57323930 0.35005419 0.35004015 1.0 B B13 1 0.42677195 0.64999077 0.64996421 1.0 Br Br14 1 0.57913192 0.68907187 0.02502194 1.0 Br Br15 1 0.71718596 0.06664829 0.06613138 1.0 Br Br16 1 0.85481885 0.45244757 0.11801172 1.0 Br Br17 1 0.13631268 0.21199633 0.21235931 1.0 Br Br18 1 0.27232589 0.59959436 0.25467669 1.0 Br Br19 1 0.42080106 0.97486507 0.31085871 1.0 Br Br20 1 0.72768861 0.74528280 0.40033974 1.0 Br Br21 1 0.85559403 0.11595633 0.45167660 1.0 Br Br22 1 0.00001134 0.50046808 0.49955172 1.0 Br Br23 1 0.14526539 0.88199706 0.54753184 1.0 Br Br24 1 0.27288018 0.25311293 0.59800463 1.0 Br Br25 1 0.57971960 0.02669519 0.69009543 1.0 Br Br26 1 0.72713745 0.40206303 0.74693976 1.0 Br Br27 1 0.86363756 0.78761879 0.78798303 1.0 Br Br28 1 0.14442390 0.54829790 0.88398160 1.0 Br Br29 1 0.28276099 0.93385457 0.93339064 1.0 Br Br30 1 0.42028529 0.30992068 0.97328432 1.0