# generated using pymatgen data_Cs(Nb3Se4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96576492 _cell_length_b 10.29288477 _cell_length_c 10.86401878 _cell_angle_alpha 118.45236797 _cell_angle_beta 108.73326364 _cell_angle_gamma 89.92627852 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs(Nb3Se4)4 _chemical_formula_sum 'Cs1 Nb12 Se16' _cell_volume 637.70381686 _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 0.50000000 0.00000000 0.00000000 1.0 Nb Nb1 1 0.92855656 0.48959492 0.10529259 1.0 Nb Nb2 1 0.42634193 0.48535463 0.10397691 1.0 Nb Nb3 1 0.12388936 0.61556963 0.51171570 1.0 Nb Nb4 1 0.64175631 0.61848319 0.51521481 1.0 Nb Nb5 1 0.07134265 0.89570607 0.38060809 1.0 Nb Nb6 1 0.56197792 0.89589246 0.38402864 1.0 Nb Nb7 1 0.57365807 0.51464537 0.89602309 1.0 Nb Nb8 1 0.07144344 0.51040508 0.89470741 1.0 Nb Nb9 1 0.35824369 0.38151681 0.48478519 1.0 Nb Nb10 1 0.87611064 0.38443037 0.48828430 1.0 Nb Nb11 1 0.43802208 0.10410754 0.61597136 1.0 Nb Nb12 1 0.92865735 0.10429393 0.61939191 1.0 Se Se13 1 0.51767516 0.34941284 0.28792708 1.0 Se Se14 1 0.01279570 0.34268280 0.27872384 1.0 Se Se15 1 0.70386310 0.93771791 0.65747027 1.0 Se Se16 1 0.19901866 0.93775602 0.65034243 1.0 Se Se17 1 0.40362022 0.71419130 0.06335177 1.0 Se Se18 1 0.90644465 0.71843194 0.06016879 1.0 Se Se19 1 0.98720430 0.65731720 0.72127616 1.0 Se Se20 1 0.48232484 0.65058716 0.71207292 1.0 Se Se21 1 0.80098134 0.06224398 0.34965757 1.0 Se Se22 1 0.29613690 0.06228209 0.34252973 1.0 Se Se23 1 0.09355535 0.28156806 0.93983121 1.0 Se Se24 1 0.59637978 0.28580870 0.93664823 1.0 Se Se25 1 0.70762180 0.33408173 0.66569802 1.0 Se Se26 1 0.20899036 0.33286649 0.66817429 1.0 Se Se27 1 0.79100964 0.66713351 0.33182571 1.0 Se Se28 1 0.29237820 0.66591827 0.33430198 1.0