# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50976526
_cell_length_b   21.89011289
_cell_length_c   47.95749288
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.09615585
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr72 Cu36'
_cell_volume   4709.21744903
_cell_formula_units_Z   36
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  0.426248  0.114981  0.292327  1
  Zr  Zr2  1  0.179182  0.609226  0.314858  1
  Zr  Zr3  1  0.975410  0.016567  0.288197  1
  Zr  Zr4  1  0.728622  0.510320  0.310366  1
  Zr  Zr5  1  0.802442  0.362672  0.303346  1
  Zr  Zr6  1  0.554882  0.857834  0.325498  1
  Zr  Zr7  1  0.352151  0.263218  0.298834  1
  Zr  Zr8  1  0.105464  0.756647  0.321414  1
  Zr  Zr9  1  0.930374  0.106775  0.340073  1
  Zr  Zr10  1  0.683501  0.600583  0.363116  1
  Zr  Zr11  1  0.481969  1.003596  0.336222  1
  Zr  Zr12  1  0.234729  0.498112  0.358291  1
  Zr  Zr13  1  0.307059  0.353448  0.351434  1
  Zr  Zr14  1  0.060183  0.847222  0.373642  1
  Zr  Zr15  1  0.858118  0.251303  0.346580  1
  Zr  Zr16  1  0.610997  0.745578  0.369548  1
  Zr  Zr17  1  0.436264  0.095028  0.386893  1
  Zr  Zr18  1  0.188917  0.589771  0.410108  1
  Zr  Zr19  1  0.988541  0.990469  0.380568  1
  Zr  Zr20  1  0.740011  0.487563  0.405360  1
  Zr  Zr21  1  0.812480  0.342630  0.398533  1
  Zr  Zr22  1  0.566180  0.835252  0.422596  1
  Zr  Zr23  1  0.363539  0.240483  0.393734  1
  Zr  Zr24  1  0.116623  0.734344  0.416821  1
  Zr  Zr25  1  0.942452  0.082711  0.434327  1
  Zr  Zr26  1  0.694681  0.578289  0.458556  1
  Zr  Zr27  1  0.493258  0.981077  0.429180  1
  Zr  Zr28  1  0.245317  0.476989  0.453606  1
  Zr  Zr29  1  0.318343  0.330945  0.446658  1
  Zr  Zr30  1  0.071166  0.825329  0.470161  1
  Zr  Zr31  1  0.869105  0.229397  0.441758  1
  Zr  Zr32  1  0.621984  0.723671  0.465669  1
  Zr  Zr33  1  0.447633  0.072397  0.481859  1
  Zr  Zr34  1  0.200027  0.567632  0.506038  1
  Zr  Zr35  1  0.998765  0.970114  0.477063  1
  Zr  Zr36  1  0.751205  0.465256  0.501203  1
  Zr  Zr37  1  0.823737  0.320200  0.494176  1
  Zr  Zr38  1  0.576682  0.814336  0.517992  1
  Zr  Zr39  1  0.374974  0.217705  0.489178  1
  Zr  Zr40  1  0.127507  0.712661  0.513277  1
  Zr  Zr41  1  0.953133  0.061440  0.529525  1
  Zr  Zr42  1  0.705896  0.555944  0.553795  1
  Zr  Zr43  1  0.503775  0.960132  0.524877  1
  Zr  Zr44  1  0.256617  0.454476  0.548715  1
  Zr  Zr45  1  0.329656  0.308407  0.541666  1
  Zr  Zr46  1  0.081733  0.804284  0.566548  1
  Zr  Zr47  1  0.880327  0.207040  0.536736  1
  Zr  Zr48  1  0.632663  0.702403  0.561036  1
  Zr  Zr49  1  0.458329  0.051091  0.578050  1
  Zr  Zr50  1  0.211455  0.544867  0.601641  1
  Zr  Zr51  1  0.009255  0.949221  0.572847  1
  Zr  Zr52  1  0.762587  0.442578  0.596869  1
  Zr  Zr53  1  0.835090  0.297578  0.589926  1
  Zr  Zr54  1  0.587124  0.793544  0.613675  1
  Zr  Zr55  1  0.386155  0.195425  0.585034  1
  Zr  Zr56  1  0.138937  0.689906  0.608584  1
  Zr  Zr57  1  0.964088  0.039608  0.625616  1
  Zr  Zr58  1  0.716862  0.534078  0.648791  1
  Zr  Zr59  1  0.514255  0.939253  0.620187  1
  Zr  Zr60  1  0.268084  0.431611  0.643849  1
  Zr  Zr61  1  0.340462  0.286855  0.636976  1
  Zr  Zr62  1  0.092937  0.781959  0.660397  1
  Zr  Zr63  1  0.891687  0.184394  0.632139  1
  Zr  Zr64  1  0.644145  0.679530  0.655763  1
  Zr  Zr65  1  0.470213  0.027357  0.673449  1
  Zr  Zr66  1  0.223107  0.521611  0.696474  1
  Zr  Zr67  1  0.020603  0.926579  0.670553  1
  Zr  Zr68  1  0.772790  0.422207  0.691888  1
  Zr  Zr69  1  0.846706  0.274371  0.684883  1
  Zr  Zr70  1  0.596916  0.774068  0.704910  1
  Zr  Zr71  1  0.396296  0.175171  0.680218  1
  Zr  Zr72  1  0.149363  0.669132  0.703026  1
  Cu  Cu73  1  0.889310  0.188870  0.297311  1
  Cu  Cu74  1  0.642525  0.682533  0.320372  1
  Cu  Cu75  1  0.508951  0.949377  0.288178  1
  Cu  Cu76  1  0.265700  0.436154  0.308906  1
  Cu  Cu77  1  0.394132  0.179267  0.341862  1
  Cu  Cu78  1  0.147116  0.673341  0.364347  1
  Cu  Cu79  1  0.020063  0.927474  0.325778  1
  Cu  Cu80  1  0.770740  0.426087  0.353067  1
  Cu  Cu81  1  0.899762  0.168025  0.391300  1
  Cu  Cu82  1  0.652748  0.662093  0.414851  1
  Cu  Cu83  1  0.525134  0.917303  0.378646  1
  Cu  Cu84  1  0.276392  0.414799  0.403084  1
  Cu  Cu85  1  0.405625  0.156361  0.437686  1
  Cu  Cu86  1  0.158233  0.651182  0.461311  1
  Cu  Cu87  1  0.029588  0.908419  0.425324  1
  Cu  Cu88  1  0.781770  0.404085  0.449658  1
  Cu  Cu89  1  0.911305  0.145050  0.485384  1
  Cu  Cu90  1  0.663747  0.640182  0.510134  1
  Cu  Cu91  1  0.534970  0.897718  0.473757  1
  Cu  Cu92  1  0.287451  0.392767  0.497656  1
  Cu  Cu93  1  0.416807  0.134084  0.533576  1
  Cu  Cu94  1  0.169467  0.628801  0.557463  1
  Cu  Cu95  1  0.040316  0.887057  0.521818  1
  Cu  Cu96  1  0.793211  0.381295  0.545742  1
  Cu  Cu97  1  0.922230  0.123285  0.580397  1
  Cu  Cu98  1  0.675043  0.617696  0.604518  1
  Cu  Cu99  1  0.545557  0.876633  0.568720  1
  Cu  Cu100  1  0.298694  0.370372  0.592208  1
  Cu  Cu101  1  0.428145  0.111496  0.630638  1
  Cu  Cu102  1  0.180826  0.606161  0.653535  1
  Cu  Cu103  1  0.050182  0.867410  0.618611  1
  Cu  Cu104  1  0.804472  0.358838  0.642238  1
  Cu  Cu105  1  0.932945  0.101883  0.674886  1
  Cu  Cu106  1  0.686092  0.595669  0.697985  1
  Cu  Cu107  1  0.554824  0.858157  0.662683  1
  Cu  Cu108  1  0.309539  0.348712  0.686321  1
