# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50226232
_cell_length_b   11.31658545
_cell_length_c   47.10125824
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.49319528
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr36 Cu18'
_cell_volume   2351.58629697
_cell_formula_units_Z   18
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  0.419853  0.088760  0.303250  1
  Zr  Zr2  1  0.015142  0.898505  0.294693  1
  Zr  Zr3  1  0.678036  0.572128  0.325057  1
  Zr  Zr4  1  0.276393  0.375557  0.316314  1
  Zr  Zr5  1  0.937435  0.053498  0.351512  1
  Zr  Zr6  1  0.537764  0.852810  0.342725  1
  Zr  Zr7  1  0.198628  0.530960  0.373366  1
  Zr  Zr8  1  0.797083  0.334150  0.364439  1
  Zr  Zr9  1  0.458950  0.010334  0.398231  1
  Zr  Zr10  1  0.060051  0.808177  0.387059  1
  Zr  Zr11  1  0.720877  0.486301  0.422318  1
  Zr  Zr12  1  0.318421  0.291346  0.411803  1
  Zr  Zr13  1  0.981114  0.965697  0.445906  1
  Zr  Zr14  1  0.579525  0.769005  0.435789  1
  Zr  Zr15  1  0.240952  0.445878  0.469901  1
  Zr  Zr16  1  0.839727  0.248433  0.460471  1
  Zr  Zr17  1  0.501519  0.924640  0.493342  1
  Zr  Zr18  1  0.100702  0.726362  0.483711  1
  Zr  Zr19  1  0.762248  0.403037  0.517603  1
  Zr  Zr20  1  0.360929  0.205785  0.507926  1
  Zr  Zr21  1  0.022722  0.881955  0.541205  1
  Zr  Zr22  1  0.620986  0.685547  0.531485  1
  Zr  Zr23  1  0.282780  0.361679  0.566177  1
  Zr  Zr24  1  0.881377  0.164609  0.555682  1
  Zr  Zr25  1  0.543632  0.839873  0.589415  1
  Zr  Zr26  1  0.142288  0.642667  0.579442  1
  Zr  Zr27  1  0.803543  0.319928  0.613327  1
  Zr  Zr28  1  0.403916  0.119261  0.603309  1
  Zr  Zr29  1  0.065248  0.796434  0.637089  1
  Zr  Zr30  1  0.662332  0.602381  0.626801  1
  Zr  Zr31  1  0.324926  0.276987  0.660076  1
  Zr  Zr32  1  0.924311  0.078258  0.650587  1
  Zr  Zr33  1  0.587547  0.751789  0.684794  1
  Zr  Zr34  1  0.185691  0.555573  0.677209  1
  Zr  Zr35  1  0.842223  0.242201  0.704806  1
  Zr  Zr36  1  0.444438  0.037912  0.698059  1
  Cu  Cu37  1  0.848764  0.230896  0.311803  1
  Cu  Cu38  1  0.581100  0.766979  0.291552  1
  Cu  Cu39  1  0.366819  0.194731  0.356234  1
  Cu  Cu40  1  0.110013  0.708134  0.328616  1
  Cu  Cu41  1  0.888397  0.151474  0.406333  1
  Cu  Cu42  1  0.631215  0.665829  0.381650  1
  Cu  Cu43  1  0.409891  0.108111  0.452550  1
  Cu  Cu44  1  0.149941  0.628205  0.428563  1
  Cu  Cu45  1  0.931249  0.065172  0.500977  1
  Cu  Cu46  1  0.670821  0.586124  0.476907  1
  Cu  Cu47  1  0.452458  0.022456  0.548405  1
  Cu  Cu48  1  0.191887  0.543760  0.524957  1
  Cu  Cu49  1  0.973586  0.979926  0.595737  1
  Cu  Cu50  1  0.712375  0.502467  0.571789  1
  Cu  Cu51  1  0.495808  0.935239  0.645113  1
  Cu  Cu52  1  0.232247  0.462527  0.621828  1
  Cu  Cu53  1  0.015107  0.896582  0.689656  1
  Cu  Cu54  1  0.750865  0.425165  0.665961  1
