# generated using pymatgen data_ZrBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89310867 _cell_length_b 5.75860323 _cell_length_c 14.45800379 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.75661825 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBi _chemical_formula_sum 'Zr6 Bi6' _cell_volume 305.05268640 _cell_formula_units_Z 6 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 0.07142285 0.14284470 0.89071651 1.0 Zr Zr1 1 0.92857715 0.85715530 0.10928349 1.0 Zr Zr2 1 0.92857715 0.85715530 0.39071651 1.0 Zr Zr3 1 0.07142285 0.14284470 0.60928349 1.0 Zr Zr4 1 0.38830321 0.77660641 0.75000000 1.0 Zr Zr5 1 0.61169679 0.22339359 0.25000000 1.0 Bi Bi6 1 0.67496013 0.34992125 0.75000000 1.0 Bi Bi7 1 0.32503987 0.65007875 0.25000000 1.0 Bi Bi8 1 0.64087953 0.28175906 0.45022410 1.0 Bi Bi9 1 0.35912047 0.71824094 0.54977590 1.0 Bi Bi10 1 0.35912047 0.71824094 0.95022410 1.0 Bi Bi11 1 0.64087953 0.28175906 0.04977590 1.0