# generated using pymatgen data_Cu81Sn22 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.77339626 _cell_length_b 12.77339626 _cell_length_c 12.77339726 _cell_angle_alpha 59.87467258 _cell_angle_beta 59.87467258 _cell_angle_gamma 59.87467422 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu81Sn22 _chemical_formula_sum 'Cu81 Sn22' _cell_volume 1469.49267809 _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 Cu Cu0 1 0.42270900 0.07724300 0.42270900 1.0 Cu Cu1 1 0.42270900 0.42270900 0.07724300 1.0 Cu Cu2 1 0.07724300 0.42270900 0.42270900 1.0 Cu Cu3 1 0.07735700 0.07735700 0.42262800 1.0 Cu Cu4 1 0.42262800 0.07735700 0.07735700 1.0 Cu Cu5 1 0.07735700 0.42262800 0.07735700 1.0 Cu Cu6 1 0.54862800 0.54862800 0.54862800 1.0 Cu Cu7 1 0.54880500 0.35391200 0.54880500 1.0 Cu Cu8 1 0.35391200 0.54880500 0.54880500 1.0 Cu Cu9 1 0.54880500 0.54880500 0.35391200 1.0 Cu Cu10 1 0.53112800 0.75717100 0.53112800 1.0 Cu Cu11 1 0.53112800 0.53112800 0.75717100 1.0 Cu Cu12 1 0.75717100 0.53112800 0.53112800 1.0 Cu Cu13 1 0.53108100 0.18044000 0.53108100 1.0 Cu Cu14 1 0.75790500 0.18073000 0.53050400 1.0 Cu Cu15 1 0.53050400 0.18073000 0.75790500 1.0 Cu Cu16 1 0.18073000 0.53050400 0.75790500 1.0 Cu Cu17 1 0.18073000 0.75790500 0.53050400 1.0 Cu Cu18 1 0.18044000 0.53108100 0.53108100 1.0 Cu Cu19 1 0.75790500 0.53050400 0.18073000 1.0 Cu Cu20 1 0.53108100 0.53108100 0.18044000 1.0 Cu Cu21 1 0.53050400 0.75790500 0.18073000 1.0 Cu Cu22 1 0.76200700 0.05605300 0.76200700 1.0 Cu Cu23 1 0.76200700 0.76200700 0.05605300 1.0 Cu Cu24 1 0.05605300 0.76200700 0.76200700 1.0 Cu Cu25 1 0.76509400 0.41835300 0.76509400 1.0 Cu Cu26 1 0.05465200 0.41850100 0.76396500 1.0 Cu Cu27 1 0.76396500 0.41850100 0.05465200 1.0 Cu Cu28 1 0.41850100 0.76396500 0.05465200 1.0 Cu Cu29 1 0.41850100 0.05465200 0.76396500 1.0 Cu Cu30 1 0.41835300 0.76509400 0.76509400 1.0 Cu Cu31 1 0.05465200 0.76396500 0.41850100 1.0 Cu Cu32 1 0.76509400 0.76509400 0.41835300 1.0 Cu Cu33 1 0.76396500 0.05465200 0.41850100 1.0 Cu Cu34 1 0.41674200 0.41674200 0.41674200 1.0 Cu Cu35 1 0.41599600 0.75090700 0.41599600 1.0 Cu Cu36 1 0.75090700 0.41599600 0.41599600 1.0 Cu Cu37 1 0.41599600 0.41599600 0.75090700 1.0 Cu Cu38 1 0.80389900 0.80389900 0.80389900 1.0 Cu Cu39 1 0.80415800 0.58721100 0.80415800 1.0 Cu Cu40 1 0.58721100 0.80415800 0.80415800 1.0 Cu Cu41 1 0.80415800 0.80415800 0.58721100 1.0 Cu Cu42 1 0.01972900 0.29182300 0.01972900 1.0 Cu Cu43 1 0.01972900 0.01972900 0.29182300 1.0 Cu Cu44 1 0.29182300 0.01972900 0.01972900 1.0 Cu Cu45 1 0.01853000 0.66778400 0.01853000 1.0 Cu Cu46 1 0.29446500 0.67030000 0.01704000 1.0 Cu Cu47 1 0.01704000 0.67030000 0.29446500 1.0 Cu Cu48 1 0.67030000 0.01704000 0.29446500 1.0 Cu Cu49 1 0.67030000 0.29446500 0.01704000 1.0 Cu Cu50 1 0.66778400 0.01853000 0.01853000 1.0 Cu Cu51 1 0.29446500 0.01704000 0.67030000 1.0 Cu Cu52 1 0.01853000 0.01853000 0.66778400 1.0 Cu Cu53 1 0.01704000 0.29446500 0.67030000 1.0 Cu Cu54 1 0.16557400 0.16557400 0.16557400 1.0 Cu Cu55 1 0.16478600 0.50620600 0.16478600 1.0 Cu Cu56 1 0.50620600 0.16478600 0.16478600 1.0 Cu Cu57 1 0.16478600 0.16478600 0.50620600 1.0 Cu Cu58 1 0.30079600 0.30079600 0.30079600 1.0 Cu Cu59 1 0.30107700 0.09713700 0.30107700 1.0 Cu Cu60 1 0.09713700 0.30107700 0.30107700 1.0 Cu Cu61 1 0.30107700 0.30107700 0.09713700 1.0 Cu Cu62 1 0.66663400 0.66663400 0.66663400 1.0 Cu Cu63 1 0.66650700 0.99994400 0.66650700 1.0 Cu Cu64 1 0.99994400 0.66650700 0.66650700 1.0 Cu Cu65 1 0.66650700 0.66650700 0.99994400 1.0 Cu Cu66 1 0.67154900 0.32868800 0.67154900 1.0 Cu Cu67 1 0.67154900 0.67154900 0.32868800 1.0 Cu Cu68 1 0.32868800 0.67154900 0.67154900 1.0 Cu Cu69 1 0.32838200 0.32838200 0.67123100 1.0 Cu Cu70 1 0.67123100 0.32838200 0.32838200 1.0 Cu Cu71 1 0.32838200 0.67123100 0.32838200 1.0 Cu Cu72 1 0.17925700 0.82149000 0.17925700 1.0 Cu Cu73 1 0.17925700 0.17925700 0.82149000 1.0 Cu Cu74 1 0.82149000 0.17925700 0.17925700 1.0 Cu Cu75 1 0.82028500 0.82028500 0.18023800 1.0 Cu Cu76 1 0.18023800 0.82028500 0.82028500 1.0 Cu Cu77 1 0.82028500 0.18023800 0.82028500 1.0 Cu Cu78 1 0.05646100 0.82658000 0.05646100 1.0 Cu Cu79 1 0.82658000 0.05646100 0.05646100 1.0 Cu Cu80 1 0.05646100 0.05646100 0.82658000 1.0 Sn Sn81 1 0.93245100 0.56701000 0.93245100 1.0 Sn Sn82 1 0.93245100 0.93245100 0.56701000 1.0 Sn Sn83 1 0.56701000 0.93245100 0.93245100 1.0 Sn Sn84 1 0.56744700 0.56744700 0.93264800 1.0 Sn Sn85 1 0.93264800 0.56744700 0.56744700 1.0 Sn Sn86 1 0.56744700 0.93264800 0.56744700 1.0 Sn Sn87 1 0.91175500 0.91175500 0.91175500 1.0 Sn Sn88 1 0.91830100 0.25222500 0.91830100 1.0 Sn Sn89 1 0.25222500 0.91830100 0.91830100 1.0 Sn Sn90 1 0.91830100 0.91830100 0.25222500 1.0 Sn Sn91 1 0.26760500 0.55066700 0.26760500 1.0 Sn Sn92 1 0.26760500 0.26760500 0.55066700 1.0 Sn Sn93 1 0.55066700 0.26760500 0.26760500 1.0 Sn Sn94 1 0.26694800 0.91433800 0.26694800 1.0 Sn Sn95 1 0.55062900 0.91402000 0.26800800 1.0 Sn Sn96 1 0.26800800 0.91402000 0.55062900 1.0 Sn Sn97 1 0.91402000 0.26800800 0.55062900 1.0 Sn Sn98 1 0.91402000 0.55062900 0.26800800 1.0 Sn Sn99 1 0.91433800 0.26694800 0.26694800 1.0 Sn Sn100 1 0.55062900 0.26800800 0.91402000 1.0 Sn Sn101 1 0.26694800 0.26694800 0.91433800 1.0 Sn Sn102 1 0.26800800 0.55062900 0.91402000 1.0