# generated using pymatgen data_Zr24BeSe7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.95155634 _cell_length_b 10.97429246 _cell_length_c 5.47159945 _cell_angle_alpha 89.76348254 _cell_angle_beta 90.13474940 _cell_angle_gamma 89.90472655 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr24BeSe7 _chemical_formula_sum 'Zr24 Be1 Se7' _cell_volume 657.59902371 _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 0.02875650 0.85608522 0.27698528 1.0 Zr Zr1 1 0.35982205 0.47371147 0.78248191 1.0 Zr Zr2 1 0.63949195 0.52312329 0.78844973 1.0 Zr Zr3 1 0.97468500 0.13931042 0.28726751 1.0 Zr Zr4 1 0.47175676 0.63819637 0.21386987 1.0 Zr Zr5 1 0.13889962 0.02235276 0.71372794 1.0 Zr Zr6 1 0.86383871 0.97196504 0.71785839 1.0 Zr Zr7 1 0.52519661 0.36014786 0.21391996 1.0 Zr Zr8 1 0.28428797 0.81908997 0.98096948 1.0 Zr Zr9 1 0.31690784 0.21399043 0.48649499 1.0 Zr Zr10 1 0.68319454 0.78501926 0.48782147 1.0 Zr Zr11 1 0.71556179 0.18234613 0.98635440 1.0 Zr Zr12 1 0.21032819 0.68197662 0.52045080 1.0 Zr Zr13 1 0.18253060 0.28459296 0.01623303 1.0 Zr Zr14 1 0.81773170 0.71565921 0.00847739 1.0 Zr Zr15 1 0.78544099 0.31798051 0.51517278 1.0 Zr Zr16 1 0.89624002 0.41573479 0.04443705 1.0 Zr Zr17 1 0.91727405 0.60835288 0.55543459 1.0 Zr Zr18 1 0.08428839 0.39562732 0.54270985 1.0 Zr Zr19 1 0.10173105 0.59013371 0.03067037 1.0 Zr Zr20 1 0.60445981 0.08376465 0.45693625 1.0 Zr Zr21 1 0.58459366 0.89700802 0.95787777 1.0 Zr Zr22 1 0.41562549 0.10345735 0.95801535 1.0 Zr Zr23 1 0.39579040 0.91587237 0.46062032 1.0 Be Be24 1 0.03923850 0.79885090 0.78696513 1.0 Se Se25 1 0.53775705 0.29226427 0.70915047 1.0 Se Se26 1 0.79521279 0.95972805 0.20916608 1.0 Se Se27 1 0.20615985 0.03760902 0.20858026 1.0 Se Se28 1 0.46278008 0.70694009 0.70986773 1.0 Se Se29 1 0.96239380 0.20644331 0.79259433 1.0 Se Se30 1 0.70737771 0.53965921 0.29318691 1.0 Se Se31 1 0.29065054 0.46300755 0.28724861 1.0