# generated using pymatgen data_Zr(NbSe2)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09918556 _cell_length_b 7.67538338 _cell_length_c 8.48993956 _cell_angle_alpha 109.91981916 _cell_angle_beta 97.17008701 _cell_angle_gamma 105.07434305 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr(NbSe2)5 _chemical_formula_sum 'Zr1 Nb5 Se10' _cell_volume 350.69489617 _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 Zr Zr0 1 0.66877940 0.51562961 0.98936726 1.0 Nb Nb1 1 0.00231088 0.99558929 0.00105041 1.0 Nb Nb2 1 0.59960623 0.20718081 0.20210966 1.0 Nb Nb3 1 0.19776588 0.39952040 0.39753178 1.0 Nb Nb4 1 0.79525409 0.59795190 0.60444483 1.0 Nb Nb5 1 0.40424232 0.79272090 0.79994740 1.0 Se Se6 1 0.23493895 0.05011252 0.30070042 1.0 Se Se7 1 0.05013415 0.64319494 0.90351128 1.0 Se Se8 1 0.83244753 0.24799786 0.49843558 1.0 Se Se9 1 0.63438058 0.86129169 0.11575422 1.0 Se Se10 1 0.41650995 0.42620041 0.68778176 1.0 Se Se11 1 0.90284232 0.56253880 0.30559176 1.0 Se Se12 1 0.70079449 0.14688858 0.89494671 1.0 Se Se13 1 0.50012240 0.75183888 0.50234857 1.0 Se Se14 1 0.29211150 0.35297144 0.09591258 1.0 Se Se15 1 0.10056034 0.94597297 0.70216778 1.0