# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.43750969
_cell_length_b   12.12336952
_cell_length_c   48.13571303
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr96 Cu48'
_cell_volume   6090.9865936
_cell_formula_units_Z   48
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  Zr1  1  0.153609  0.528042  0.306620  1
  Zr  Zr2  1  0.153386  0.283973  0.272448  1
  Zr  Zr3  1  0.154493  0.908110  0.289412  1
  Zr  Zr4  1  0.351863  0.337920  0.317343  1
  Zr  Zr5  1  0.348564  0.093806  0.280084  1
  Zr  Zr6  1  0.351017  0.719949  0.298801  1
  Zr  Zr7  1  0.653804  0.337920  0.317343  1
  Zr  Zr8  1  0.657104  0.093806  0.280084  1
  Zr  Zr9  1  0.654651  0.719949  0.298801  1
  Zr  Zr10  1  0.852059  0.528042  0.306620  1
  Zr  Zr11  1  0.852282  0.283973  0.272448  1
  Zr  Zr12  1  0.851174  0.908110  0.289412  1
  Zr  Zr13  1  0.153130  0.374663  0.365693  1
  Zr  Zr14  1  0.149260  0.143170  0.326498  1
  Zr  Zr15  1  0.149662  0.756662  0.346032  1
  Zr  Zr16  1  0.354068  0.181683  0.375435  1
  Zr  Zr17  1  0.356622  0.950841  0.336382  1
  Zr  Zr18  1  0.355023  0.567120  0.355906  1
  Zr  Zr19  1  0.651600  0.181683  0.375435  1
  Zr  Zr20  1  0.649046  0.950841  0.336382  1
  Zr  Zr21  1  0.650645  0.567120  0.355906  1
  Zr  Zr22  1  0.852538  0.374663  0.365693  1
  Zr  Zr23  1  0.856407  0.143170  0.326498  1
  Zr  Zr24  1  0.856006  0.756662  0.346032  1
  Zr  Zr25  1  0.152382  0.221505  0.424994  1
  Zr  Zr26  1  0.152280  0.989888  0.385370  1
  Zr  Zr27  1  0.152103  0.605887  0.405287  1
  Zr  Zr28  1  0.353263  0.029633  0.434796  1
  Zr  Zr29  1  0.353301  0.797989  0.395278  1
  Zr  Zr30  1  0.353551  0.413521  0.414864  1
  Zr  Zr31  1  0.652405  0.029633  0.434796  1
  Zr  Zr32  1  0.652367  0.797989  0.395278  1
  Zr  Zr33  1  0.652117  0.413521  0.414864  1
  Zr  Zr34  1  0.853285  0.221505  0.424994  1
  Zr  Zr35  1  0.853388  0.989888  0.385370  1
  Zr  Zr36  1  0.853565  0.605887  0.405287  1
  Zr  Zr37  1  0.152022  0.068820  0.484085  1
  Zr  Zr38  1  0.152220  0.837407  0.444707  1
  Zr  Zr39  1  0.151974  0.452935  0.464320  1
  Zr  Zr40  1  0.353491  0.876797  0.493984  1
  Zr  Zr41  1  0.353349  0.645138  0.454588  1
  Zr  Zr42  1  0.353563  0.261081  0.474268  1
  Zr  Zr43  1  0.652177  0.876797  0.493984  1
  Zr  Zr44  1  0.652319  0.645138  0.454588  1
  Zr  Zr45  1  0.652104  0.261081  0.474268  1
  Zr  Zr46  1  0.853646  0.068820  0.484085  1
  Zr  Zr47  1  0.853448  0.837407  0.444707  1
  Zr  Zr48  1  0.853694  0.452935  0.464320  1
  Zr  Zr49  1  0.152319  0.915969  0.543178  1
  Zr  Zr50  1  0.152177  0.684310  0.503782  1
  Zr  Zr51  1  0.152104  0.300025  0.523498  1
  Zr  Zr52  1  0.353448  0.723700  0.553059  1
  Zr  Zr53  1  0.353646  0.492287  0.513682  1
  Zr  Zr54  1  0.353694  0.108172  0.533447  1
  Zr  Zr55  1  0.652220  0.723700  0.553059  1
  Zr  Zr56  1  0.652022  0.492287  0.513682  1
  Zr  Zr57  1  0.651974  0.108172  0.533447  1
  Zr  Zr58  1  0.853349  0.915969  0.543178  1
  Zr  Zr59  1  0.853491  0.684310  0.503782  1
  Zr  Zr60  1  0.853563  0.300025  0.523498  1
  Zr  Zr61  1  0.152367  0.763118  0.602489  1
  Zr  Zr62  1  0.152405  0.531474  0.562970  1
  Zr  Zr63  1  0.152117  0.147586  0.582902  1
  Zr  Zr64  1  0.353388  0.571219  0.612396  1
  Zr  Zr65  1  0.353285  0.339602  0.572772  1
  Zr  Zr66  1  0.353565  0.955220  0.592479  1
  Zr  Zr67  1  0.652280  0.571219  0.612396  1
  Zr  Zr68  1  0.652382  0.339602  0.572772  1
  Zr  Zr69  1  0.652103  0.955220  0.592479  1
  Zr  Zr70  1  0.853301  0.763118  0.602489  1
  Zr  Zr71  1  0.853263  0.531474  0.562970  1
  Zr  Zr72  1  0.853551  0.147586  0.582902  1
  Zr  Zr73  1  0.149046  0.610266  0.661384  1
  Zr  Zr74  1  0.151600  0.379424  0.622331  1
  Zr  Zr75  1  0.150645  0.993986  0.641860  1
  Zr  Zr76  1  0.356407  0.417937  0.671269  1
  Zr  Zr77  1  0.352538  0.186444  0.632073  1
  Zr  Zr78  1  0.356006  0.804445  0.651734  1
  Zr  Zr79  1  0.649260  0.417937  0.671269  1
  Zr  Zr80  1  0.653130  0.186444  0.632073  1
  Zr  Zr81  1  0.649662  0.804445  0.651734  1
  Zr  Zr82  1  0.856622  0.610266  0.661384  1
  Zr  Zr83  1  0.854068  0.379424  0.622331  1
  Zr  Zr84  1  0.855023  0.993986  0.641860  1
  Zr  Zr85  1  0.157104  0.467301  0.717682  1
  Zr  Zr86  1  0.153804  0.223187  0.680423  1
  Zr  Zr87  1  0.154651  0.841157  0.698965  1
  Zr  Zr88  1  0.352282  0.277134  0.725318  1
  Zr  Zr89  1  0.352059  0.033065  0.691146  1
  Zr  Zr90  1  0.351174  0.652997  0.708354  1
  Zr  Zr91  1  0.653386  0.277134  0.725318  1
  Zr  Zr92  1  0.653609  0.033065  0.691146  1
  Zr  Zr93  1  0.654493  0.652997  0.708354  1
  Zr  Zr94  1  0.848564  0.467301  0.717682  1
  Zr  Zr95  1  0.851863  0.223187  0.680423  1
  Zr  Zr96  1  0.851017  0.841157  0.698965  1
  Cu  Cu97  1  1.002834  0.341427  0.317470  1
  Cu  Cu98  1  1.002834  0.092792  0.277404  1
  Cu  Cu99  1  1.002834  0.718892  0.296466  1
  Cu  Cu100  1  0.502834  0.528958  0.306080  1
  Cu  Cu101  1  0.502834  0.272021  0.274388  1
  Cu  Cu102  1  0.502834  0.905998  0.286878  1
  Cu  Cu103  1  1.002834  0.183045  0.375871  1
  Cu  Cu104  1  1.002834  0.951245  0.336153  1
  Cu  Cu105  1  1.002834  0.565115  0.355754  1
  Cu  Cu106  1  0.502834  0.374548  0.365658  1
  Cu  Cu107  1  0.502834  0.149017  0.325315  1
  Cu  Cu108  1  0.502834  0.758797  0.346024  1
  Cu  Cu109  1  1.002834  0.029311  0.434667  1
  Cu  Cu110  1  1.002834  0.797846  0.395628  1
  Cu  Cu111  1  1.002834  0.413247  0.414822  1
  Cu  Cu112  1  0.502834  0.221437  0.424939  1
  Cu  Cu113  1  0.502834  0.990001  0.386092  1
  Cu  Cu114  1  0.502834  0.606056  0.405629  1
  Cu  Cu115  1  1.002834  0.876575  0.493986  1
  Cu  Cu116  1  1.002834  0.645252  0.454549  1
  Cu  Cu117  1  1.002834  0.260869  0.474226  1
  Cu  Cu118  1  0.502834  0.068891  0.484053  1
  Cu  Cu119  1  0.502834  0.837342  0.444636  1
  Cu  Cu120  1  0.502834  0.453010  0.464223  1
  Cu  Cu121  1  1.002834  0.723765  0.553130  1
  Cu  Cu122  1  1.002834  0.492216  0.513713  1
  Cu  Cu123  1  1.002834  0.108097  0.533543  1
  Cu  Cu124  1  0.502834  0.915855  0.543217  1
  Cu  Cu125  1  0.502834  0.684532  0.503781  1
  Cu  Cu126  1  0.502834  0.300237  0.523540  1
  Cu  Cu127  1  1.002834  0.571106  0.611674  1
  Cu  Cu128  1  1.002834  0.339670  0.572827  1
  Cu  Cu129  1  1.002834  0.955051  0.592137  1
  Cu  Cu130  1  0.502834  0.763260  0.602138  1
  Cu  Cu131  1  0.502834  0.531795  0.563099  1
  Cu  Cu132  1  0.502834  0.147859  0.582944  1
  Cu  Cu133  1  1.002834  0.412090  0.672451  1
  Cu  Cu134  1  1.002834  0.186558  0.632108  1
  Cu  Cu135  1  0.002834  0.802310  0.651742  1
  Cu  Cu136  1  0.502834  0.609862  0.661613  1
  Cu  Cu137  1  0.502834  0.378062  0.621896  1
  Cu  Cu138  1  0.502834  0.995992  0.642012  1
  Cu  Cu139  1  1.002834  0.289086  0.723378  1
  Cu  Cu140  1  0.002834  0.032148  0.691686  1
  Cu  Cu141  1  1.002834  0.655108  0.710888  1
  Cu  Cu142  1  0.502834  0.468315  0.720362  1
  Cu  Cu143  1  0.502834  0.219680  0.680296  1
  Cu  Cu144  1  0.502834  0.842215  0.701300  1
