# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19686301
_cell_length_b   21.92508742
_cell_length_c   48.20293994
_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   'Zr56 Cu28'
_cell_volume   3378.61641377
_cell_formula_units_Z   28
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  0.503405  0.082376  0.309712  1
  Zr  Zr2  1  0.503405  0.595644  0.277739  1
  Zr  Zr3  1  1.003405  0.993255  0.271810  1
  Zr  Zr4  1  1.003405  0.484114  0.303309  1
  Zr  Zr5  1  1.003405  0.335913  0.291089  1
  Zr  Zr6  1  1.003405  0.828406  0.325653  1
  Zr  Zr7  1  0.503405  0.227879  0.319591  1
  Zr  Zr8  1  0.503405  0.735958  0.287048  1
  Zr  Zr9  1  0.503405  0.061439  0.376185  1
  Zr  Zr10  1  0.503405  0.571983  0.343414  1
  Zr  Zr11  1  1.003405  0.970757  0.335240  1
  Zr  Zr12  1  1.003405  0.457929  0.369060  1
  Zr  Zr13  1  1.003405  0.318082  0.359178  1
  Zr  Zr14  1  1.003405  0.807419  0.393412  1
  Zr  Zr15  1  0.503405  0.204727  0.385755  1
  Zr  Zr16  1  0.503405  0.718232  0.352846  1
  Zr  Zr17  1  0.503405  0.039429  0.443170  1
  Zr  Zr18  1  0.503405  0.550415  0.408953  1
  Zr  Zr19  1  1.003405  0.949456  0.402751  1
  Zr  Zr20  1  1.003405  0.439872  0.436228  1
  Zr  Zr21  1  1.003405  0.293394  0.426259  1
  Zr  Zr22  1  1.003405  0.783775  0.460258  1
  Zr  Zr23  1  0.503405  0.182980  0.453188  1
  Zr  Zr24  1  0.503405  0.694929  0.419318  1
  Zr  Zr25  1  0.503405  0.018242  0.510200  1
  Zr  Zr26  1  0.503405  0.529071  0.476658  1
  Zr  Zr27  1  1.003405  0.928343  0.470154  1
  Zr  Zr28  1  1.003405  0.415828  0.502745  1
  Zr  Zr29  1  1.003405  0.273829  0.493265  1
  Zr  Zr30  1  1.003405  0.761702  0.526163  1
  Zr  Zr31  1  0.503405  0.162169  0.520000  1
  Zr  Zr32  1  0.503405  0.670856  0.486189  1
  Zr  Zr33  1  0.503405  0.996962  0.577634  1
  Zr  Zr34  1  0.503405  0.505182  0.543205  1
  Zr  Zr35  1  1.003405  0.907098  0.536733  1
  Zr  Zr36  1  1.003405  0.394607  0.570387  1
  Zr  Zr37  1  1.003405  0.250647  0.560764  1
  Zr  Zr38  1  1.003405  0.740817  0.593557  1
  Zr  Zr39  1  0.503405  0.138500  0.587517  1
  Zr  Zr40  1  0.503405  0.651334  0.553253  1
  Zr  Zr41  1  0.503405  0.971254  0.643646  1
  Zr  Zr42  1  0.503405  0.486035  0.610111  1
  Zr  Zr43  1  1.003405  0.882947  0.602808  1
  Zr  Zr44  1  1.003405  0.373812  0.637013  1
  Zr  Zr45  1  1.003405  0.229331  0.627449  1
  Zr  Zr46  1  1.003405  0.719004  0.660844  1
  Zr  Zr47  1  0.503405  0.119577  0.654810  1
  Zr  Zr48  1  0.503405  0.628205  0.619783  1
  Zr  Zr49  1  0.503405  0.952446  0.709515  1
  Zr  Zr50  1  0.503405  0.462404  0.676957  1
  Zr  Zr51  1  1.003405  0.860969  0.670604  1
  Zr  Zr52  1  1.003405  0.352058  0.702844  1
  Zr  Zr53  1  1.003405  0.210514  0.695139  1
  Zr  Zr54  1  1.003405  0.696271  0.724419  1
  Zr  Zr55  1  0.503405  0.091954  0.718478  1
  Zr  Zr56  1  0.503405  0.607709  0.686365  1
  Cu  Cu57  1  1.003405  0.164592  0.285384  1
  Cu  Cu58  1  1.003405  0.654904  0.316379  1
  Cu  Cu59  1  0.503405  0.908067  0.296853  1
  Cu  Cu60  1  0.503405  0.423955  0.269504  1
  Cu  Cu61  1  1.003405  0.144517  0.346456  1
  Cu  Cu62  1  1.003405  0.634854  0.380725  1
  Cu  Cu63  1  0.503405  0.889003  0.363651  1
  Cu  Cu64  1  0.503405  0.398597  0.327930  1
  Cu  Cu65  1  1.003405  0.122374  0.414735  1
  Cu  Cu66  1  1.003405  0.611136  0.446998  1
  Cu  Cu67  1  0.503405  0.867200  0.432381  1
  Cu  Cu68  1  0.503405  0.376662  0.399314  1
  Cu  Cu69  1  1.003405  0.100492  0.481703  1
  Cu  Cu70  1  1.003405  0.588931  0.515972  1
  Cu  Cu71  1  0.503405  0.845589  0.498630  1
  Cu  Cu72  1  0.503405  0.355988  0.463449  1
  Cu  Cu73  1  1.003405  0.079311  0.548187  1
  Cu  Cu74  1  1.003405  0.567929  0.580525  1
  Cu  Cu75  1  0.503405  0.822719  0.563832  1
  Cu  Cu76  1  0.503405  0.333576  0.532320  1
  Cu  Cu77  1  1.003405  0.056567  0.617548  1
  Cu  Cu78  1  1.003405  0.545215  0.649792  1
  Cu  Cu79  1  0.503405  0.801175  0.632477  1
  Cu  Cu80  1  0.503405  0.311974  0.599164  1
  Cu  Cu81  1  1.003405  0.033388  0.679869  1
  Cu  Cu82  1  1.003405  0.526051  0.710952  1
  Cu  Cu83  1  0.503405  0.781270  0.699395  1
  Cu  Cu84  1  0.503405  0.290910  0.664731  1
