# generated using pymatgen data_Zr2Bi3Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00585563 _cell_length_b 10.36791603 _cell_length_c 15.38117436 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Bi3Sb _chemical_formula_sum 'Zr8 Bi12 Sb4' _cell_volume 638.81669854 _cell_formula_units_Z 4 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 0.65965603 0.99413244 1.0 Zr Zr1 1 0.50000000 0.34034397 0.00586756 1.0 Zr Zr2 1 0.00000000 0.15965603 0.50586756 1.0 Zr Zr3 1 0.00000000 0.84034397 0.49413244 1.0 Zr Zr4 1 0.00000000 0.97616714 0.74597300 1.0 Zr Zr5 1 0.00000000 0.02383286 0.25402700 1.0 Zr Zr6 1 0.50000000 0.47616714 0.75402700 1.0 Zr Zr7 1 0.50000000 0.52383286 0.24597300 1.0 Bi Bi8 1 0.00000000 0.87741475 0.94239571 1.0 Bi Bi9 1 0.00000000 0.12258525 0.05760429 1.0 Bi Bi10 1 0.50000000 0.37741475 0.55760429 1.0 Bi Bi11 1 0.50000000 0.62258525 0.44239571 1.0 Bi Bi12 1 0.00000000 0.65197572 0.65187609 1.0 Bi Bi13 1 0.00000000 0.34802428 0.34812391 1.0 Bi Bi14 1 0.50000000 0.15197572 0.84812391 1.0 Bi Bi15 1 0.50000000 0.84802428 0.15187609 1.0 Bi Bi16 1 0.50000000 0.76575661 0.79886512 1.0 Bi Bi17 1 0.50000000 0.23424339 0.20113488 1.0 Bi Bi18 1 0.00000000 0.26575661 0.70113488 1.0 Bi Bi19 1 0.00000000 0.73424339 0.29886512 1.0 Sb Sb20 1 0.50000000 0.98733838 0.60303174 1.0 Sb Sb21 1 0.50000000 0.01266162 0.39696826 1.0 Sb Sb22 1 0.00000000 0.48733838 0.89696826 1.0 Sb Sb23 1 0.00000000 0.51266162 0.10303174 1.0