# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.65541779
_cell_length_b   8.56116351
_cell_length_c   63.29674218
_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   'Zr64 Cu32'
_cell_volume   4690.31688419
_cell_formula_units_Z   32
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  0.515196  0.520868  0.320439  1
  Zr  Zr2  1  0.197514  0.838722  0.380388  1
  Zr  Zr3  1  0.515196  0.020868  0.366750  1
  Zr  Zr4  1  0.706286  0.205140  0.330597  1
  Zr  Zr5  1  0.515196  0.020868  0.296533  1
  Zr  Zr6  1  0.689776  0.702605  0.284634  1
  Zr  Zr7  1  0.515196  0.520868  0.442442  1
  Zr  Zr8  1  0.515196  0.774979  0.404345  1
  Zr  Zr9  1  0.832878  0.838722  0.380388  1
  Zr  Zr10  1  0.324106  0.205140  0.330597  1
  Zr  Zr11  1  0.832878  0.203014  0.380388  1
  Zr  Zr12  1  0.706286  0.836596  0.330597  1
  Zr  Zr13  1  0.324106  0.836596  0.330597  1
  Zr  Zr14  1  0.760724  0.020868  0.456373  1
  Zr  Zr15  1  0.774716  0.520868  0.356231  1
  Zr  Zr16  1  1.015196  0.772626  0.302273  1
  Zr  Zr17  1  1.015196  0.020868  0.418944  1
  Zr  Zr18  1  0.689776  0.339131  0.284634  1
  Zr  Zr19  1  1.015196  0.520868  0.466713  1
  Zr  Zr20  1  0.202380  0.706673  0.430440  1
  Zr  Zr21  1  1.015196  0.520868  0.394512  1
  Zr  Zr22  1  0.197514  0.203014  0.380388  1
  Zr  Zr23  1  1.015196  0.020868  0.340424  1
  Zr  Zr24  1  1.015196  0.269110  0.302273  1
  Zr  Zr25  1  0.340616  0.339131  0.284634  1
  Zr  Zr26  1  0.828012  0.706673  0.430440  1
  Zr  Zr27  1  0.340616  0.702605  0.284634  1
  Zr  Zr28  1  0.202380  0.335063  0.430440  1
  Zr  Zr29  1  0.828012  0.335063  0.430440  1
  Zr  Zr30  1  0.255676  0.520868  0.356231  1
  Zr  Zr31  1  0.269668  0.020868  0.456373  1
  Zr  Zr32  1  0.515196  0.266757  0.404345  1
  Zr  Zr33  1  0.515196  0.520868  0.519050  1
  Zr  Zr34  1  0.197546  0.839836  0.581189  1
  Zr  Zr35  1  0.515196  0.020868  0.566679  1
  Zr  Zr36  1  0.702289  0.207221  0.530990  1
  Zr  Zr37  1  0.515196  0.020868  0.494601  1
  Zr  Zr38  1  0.699249  0.703864  0.480739  1
  Zr  Zr39  1  0.515196  0.520868  0.641523  1
  Zr  Zr40  1  0.515196  0.779441  0.604893  1
  Zr  Zr41  1  0.832846  0.839836  0.581189  1
  Zr  Zr42  1  0.328103  0.207221  0.530990  1
  Zr  Zr43  1  0.832846  0.201900  0.581189  1
  Zr  Zr44  1  0.702289  0.834515  0.530990  1
  Zr  Zr45  1  0.328103  0.834515  0.530990  1
  Zr  Zr46  1  0.762743  0.020868  0.658138  1
  Zr  Zr47  1  0.770802  0.520868  0.557296  1
  Zr  Zr48  1  1.015196  0.765719  0.504996  1
  Zr  Zr49  1  1.015196  0.020868  0.621507  1
  Zr  Zr50  1  0.699249  0.337872  0.480739  1
  Zr  Zr51  1  1.015196  0.520868  0.662048  1
  Zr  Zr52  1  0.204691  0.714109  0.630989  1
  Zr  Zr53  1  1.015196  0.520868  0.595478  1
  Zr  Zr54  1  0.197546  0.201900  0.581189  1
  Zr  Zr55  1  1.015196  0.020868  0.542386  1
  Zr  Zr56  1  1.015196  0.276017  0.504996  1
  Zr  Zr57  1  0.331143  0.337872  0.480739  1
  Zr  Zr58  1  0.825701  0.714109  0.630989  1
  Zr  Zr59  1  0.331143  0.703864  0.480739  1
  Zr  Zr60  1  0.204691  0.327627  0.630989  1
  Zr  Zr61  1  0.825701  0.327627  0.630989  1
  Zr  Zr62  1  0.259590  0.520868  0.557296  1
  Zr  Zr63  1  0.267649  0.020868  0.658138  1
  Zr  Zr64  1  0.515196  0.262295  0.604893  1
  Cu  Cu65  1  0.515196  0.686604  0.363143  1
  Cu  Cu66  1  0.685431  0.520868  0.396523  1
  Cu  Cu67  1  1.015196  0.699637  0.344829  1
  Cu  Cu68  1  1.015196  0.342099  0.344829  1
  Cu  Cu69  1  0.850328  0.520868  0.315809  1
  Cu  Cu70  1  0.180064  0.520868  0.315809  1
  Cu  Cu71  1  0.829552  0.020868  0.295510  1
  Cu  Cu72  1  1.015196  0.852208  0.464116  1
  Cu  Cu73  1  1.015196  0.189528  0.464116  1
  Cu  Cu74  1  0.200840  0.020868  0.295510  1
  Cu  Cu75  1  0.515196  0.193956  0.446114  1
  Cu  Cu76  1  0.515196  0.847780  0.446114  1
  Cu  Cu77  1  0.341801  0.020868  0.415138  1
  Cu  Cu78  1  0.688591  0.020868  0.415138  1
  Cu  Cu79  1  0.344961  0.520868  0.396523  1
  Cu  Cu80  1  0.515196  0.355132  0.363143  1
  Cu  Cu81  1  0.515196  0.688517  0.564325  1
  Cu  Cu82  1  0.683208  0.520868  0.598208  1
  Cu  Cu83  1  1.015196  0.693457  0.546503  1
  Cu  Cu84  1  1.015196  0.348279  0.546503  1
  Cu  Cu85  1  0.840103  0.520868  0.515644  1
  Cu  Cu86  1  0.190289  0.520868  0.515644  1
  Cu  Cu87  1  0.844898  0.020868  0.497101  1
  Cu  Cu88  1  1.015196  0.849105  0.663489  1
  Cu  Cu89  1  1.015196  0.192631  0.663489  1
  Cu  Cu90  1  0.185493  0.020868  0.497101  1
  Cu  Cu91  1  0.515196  0.187634  0.645659  1
  Cu  Cu92  1  0.515196  0.854102  0.645659  1
  Cu  Cu93  1  0.339141  0.020868  0.616715  1
  Cu  Cu94  1  0.691250  0.020868  0.616715  1
  Cu  Cu95  1  0.347184  0.520868  0.598208  1
  Cu  Cu96  1  0.515196  0.353219  0.564325  1
