# generated using pymatgen data_Zr3Cu8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.94987400 _cell_length_b 8.22915600 _cell_length_c 10.08449100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Cu8 _chemical_formula_sum 'Zr12 Cu32' _cell_volume 659.73499813 _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 0.56281900 0.44671800 0.36026300 1.0 Zr Zr1 1 0.06281900 0.05328200 0.13973700 1.0 Zr Zr2 1 0.43718100 0.94671800 0.63973700 1.0 Zr Zr3 1 0.93718100 0.55328200 0.86026300 1.0 Zr Zr4 1 0.43718100 0.55328200 0.63973700 1.0 Zr Zr5 1 0.93718100 0.94671800 0.86026300 1.0 Zr Zr6 1 0.56281900 0.05328200 0.36026300 1.0 Zr Zr7 1 0.06281900 0.44671800 0.13973700 1.0 Zr Zr8 1 0.96101900 0.25000000 0.45375500 1.0 Zr Zr9 1 0.46101900 0.25000000 0.04624500 1.0 Zr Zr10 1 0.03898100 0.75000000 0.54624500 1.0 Zr Zr11 1 0.53898100 0.75000000 0.95375500 1.0 Cu Cu12 1 0.87912500 0.57677100 0.34004400 1.0 Cu Cu13 1 0.37912500 0.92322900 0.15995600 1.0 Cu Cu14 1 0.12087500 0.07677100 0.65995600 1.0 Cu Cu15 1 0.62087500 0.42322900 0.84004400 1.0 Cu Cu16 1 0.12087500 0.42322900 0.65995600 1.0 Cu Cu17 1 0.62087500 0.07677100 0.84004400 1.0 Cu Cu18 1 0.87912500 0.92322900 0.34004400 1.0 Cu Cu19 1 0.37912500 0.57677100 0.15995600 1.0 Cu Cu20 1 0.69901000 0.49908100 0.09393300 1.0 Cu Cu21 1 0.19901000 0.00091900 0.40606700 1.0 Cu Cu22 1 0.30099000 0.99908100 0.90606700 1.0 Cu Cu23 1 0.80099000 0.50091900 0.59393300 1.0 Cu Cu24 1 0.30099000 0.50091900 0.90606700 1.0 Cu Cu25 1 0.80099000 0.99908100 0.59393300 1.0 Cu Cu26 1 0.69901000 0.00091900 0.09393300 1.0 Cu Cu27 1 0.19901000 0.49908100 0.40606700 1.0 Cu Cu28 1 0.78488600 0.25000000 0.22614300 1.0 Cu Cu29 1 0.28488600 0.25000000 0.27385700 1.0 Cu Cu30 1 0.21511400 0.75000000 0.77385700 1.0 Cu Cu31 1 0.71511400 0.75000000 0.72614300 1.0 Cu Cu32 1 0.61664200 0.25000000 0.59782700 1.0 Cu Cu33 1 0.11664200 0.25000000 0.90217300 1.0 Cu Cu34 1 0.38335800 0.75000000 0.40217300 1.0 Cu Cu35 1 0.88335800 0.75000000 0.09782700 1.0 Cu Cu36 1 0.86927500 0.25000000 0.73493000 1.0 Cu Cu37 1 0.36927500 0.25000000 0.76507000 1.0 Cu Cu38 1 0.13072500 0.75000000 0.26507000 1.0 Cu Cu39 1 0.63072500 0.75000000 0.23493000 1.0 Cu Cu40 1 0.82292600 0.25000000 0.98305700 1.0 Cu Cu41 1 0.32292600 0.25000000 0.51694300 1.0 Cu Cu42 1 0.17707400 0.75000000 0.01694300 1.0 Cu Cu43 1 0.67707400 0.75000000 0.48305700 1.0