# generated using pymatgen data_ZrBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05392808 _cell_length_b 10.35361733 _cell_length_c 15.61499435 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBi2 _chemical_formula_sum 'Zr8 Bi16' _cell_volume 655.40534752 _cell_formula_units_Z 8 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 0.50000000 0.66376468 0.99398283 1.0 Zr Zr1 1 0.50000000 0.33623532 0.00601717 1.0 Zr Zr2 1 -0.00000000 0.16376468 0.50601717 1.0 Zr Zr3 1 -0.00000000 0.83623532 0.49398283 1.0 Zr Zr4 1 -0.00000000 0.97783204 0.75114288 1.0 Zr Zr5 1 0.00000000 0.02216796 0.24885712 1.0 Zr Zr6 1 0.50000000 0.47783204 0.74885712 1.0 Zr Zr7 1 0.50000000 0.52216796 0.25114288 1.0 Bi Bi8 1 0.00000000 0.87757459 0.94267360 1.0 Bi Bi9 1 -0.00000000 0.12242541 0.05732640 1.0 Bi Bi10 1 0.50000000 0.37757459 0.55732640 1.0 Bi Bi11 1 0.50000000 0.62242541 0.44267360 1.0 Bi Bi12 1 -0.00000000 0.65464302 0.65189508 1.0 Bi Bi13 1 0.00000000 0.34535698 0.34810492 1.0 Bi Bi14 1 0.50000000 0.15464302 0.84810492 1.0 Bi Bi15 1 0.50000000 0.84535698 0.15189508 1.0 Bi Bi16 1 0.50000000 0.76657516 0.80001791 1.0 Bi Bi17 1 0.50000000 0.23342484 0.19998209 1.0 Bi Bi18 1 0.00000000 0.26657516 0.69998209 1.0 Bi Bi19 1 0.00000000 0.73342484 0.30001791 1.0 Bi Bi20 1 0.50000000 0.98717817 0.60553914 1.0 Bi Bi21 1 0.50000000 0.01282183 0.39446086 1.0 Bi Bi22 1 0.00000000 0.48717817 0.89446086 1.0 Bi Bi23 1 -0.00000000 0.51282183 0.10553914 1.0