# generated using pymatgen data_Rb3Nb2Br9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.70874579 _cell_length_b 7.70886758 _cell_length_c 18.01591512 _cell_angle_alpha 90.00113870 _cell_angle_beta 89.99819563 _cell_angle_gamma 119.99989736 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb3Nb2Br9 _chemical_formula_sum 'Rb6 Nb4 Br18' _cell_volume 927.17500881 _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 Rb Rb0 1 0.00000330 0.99999829 0.24989487 1.0 Rb Rb1 1 0.00000203 0.00000079 0.75009998 1.0 Rb Rb2 1 0.33333527 0.66666716 0.06720765 1.0 Rb Rb3 1 0.66666678 0.33333076 0.56723524 1.0 Rb Rb4 1 0.33333520 0.66666584 0.43276233 1.0 Rb Rb5 1 0.66666790 0.33333091 0.93279158 1.0 Nb Nb6 1 0.33333032 0.66667316 0.82496815 1.0 Nb Nb7 1 0.66665722 0.33332548 0.32489498 1.0 Nb Nb8 1 0.66667017 0.33333029 0.17500872 1.0 Nb Nb9 1 0.33333473 0.66667166 0.67509624 1.0 Br Br10 1 0.82817102 0.17183033 0.40722758 1.0 Br Br11 1 0.82813618 0.65633251 0.40721827 1.0 Br Br12 1 0.34366674 0.17182233 0.40721500 1.0 Br Br13 1 0.65623196 0.82810567 0.90733594 1.0 Br Br14 1 0.17180543 0.34363650 0.59276662 1.0 Br Br15 1 0.17187855 0.82811457 0.90733414 1.0 Br Br16 1 0.17190105 0.34377477 0.90733900 1.0 Br Br17 1 0.82817756 0.17184303 0.09270934 1.0 Br Br18 1 0.34368068 0.17183263 0.09270542 1.0 Br Br19 1 0.65637412 0.82819307 0.59276637 1.0 Br Br20 1 0.49213269 0.98427614 0.24989675 1.0 Br Br21 1 0.50788893 0.49211412 0.75008960 1.0 Br Br22 1 0.98421192 0.49211295 0.75008589 1.0 Br Br23 1 0.01572433 0.50786713 0.24989575 1.0 Br Br24 1 0.49213621 0.50786288 0.24989076 1.0 Br Br25 1 0.50788405 0.01578281 0.75008245 1.0 Br Br26 1 0.82816701 0.65631695 0.09271094 1.0 Br Br27 1 0.17183065 0.82818725 0.59276743 1.0