# generated using pymatgen
data_Zr3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.65397963
_cell_length_b   9.64246820
_cell_length_c   49.46842012
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Cu
_chemical_formula_sum   'Zr72 Cu24'
_cell_volume   4511.88737711
_cell_formula_units_Z   24
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  0.727972  0.727528  0.325407  1
  Zr  Zr2  1  0.227972  0.227528  0.325407  1
  Zr  Zr3  1  0.345569  0.851572  0.299072  1
  Zr  Zr4  1  0.845569  0.351572  0.299072  1
  Zr  Zr5  1  0.028134  0.778790  0.312376  1
  Zr  Zr6  1  0.528134  0.278790  0.312376  1
  Zr  Zr7  1  0.439322  0.690254  0.349727  1
  Zr  Zr8  1  0.939322  0.190254  0.349727  1
  Zr  Zr9  1  0.777107  0.030265  0.312369  1
  Zr  Zr10  1  0.277107  0.530265  0.312369  1
  Zr  Zr11  1  0.187232  0.941035  0.349945  1
  Zr  Zr12  1  0.687232  0.441035  0.349945  1
  Zr  Zr13  1  0.565090  0.567036  0.403249  1
  Zr  Zr14  1  0.065090  0.067036  0.403249  1
  Zr  Zr15  1  0.149129  0.650060  0.366384  1
  Zr  Zr16  1  0.649129  0.150060  0.366384  1
  Zr  Zr17  1  0.855413  0.609559  0.382642  1
  Zr  Zr18  1  0.355413  0.109559  0.382642  1
  Zr  Zr19  1  0.271849  0.522749  0.420035  1
  Zr  Zr20  1  0.771849  0.022749  0.420035  1
  Zr  Zr21  1  0.609255  0.856137  0.382674  1
  Zr  Zr22  1  0.109255  0.356137  0.382674  1
  Zr  Zr23  1  0.021391  0.773139  0.419989  1
  Zr  Zr24  1  0.521391  0.273139  0.419989  1
  Zr  Zr25  1  0.396827  0.397815  0.473888  1
  Zr  Zr26  1  0.896827  0.897815  0.473888  1
  Zr  Zr27  1  0.978976  0.480027  0.436696  1
  Zr  Zr28  1  0.478976  0.980027  0.436696  1
  Zr  Zr29  1  0.688438  0.438620  0.456353  1
  Zr  Zr30  1  0.188438  0.938620  0.456353  1
  Zr  Zr31  1  0.104791  0.356893  0.491194  1
  Zr  Zr32  1  0.604791  0.856893  0.491194  1
  Zr  Zr33  1  0.437416  0.689636  0.456418  1
  Zr  Zr34  1  0.937416  0.189636  0.456418  1
  Zr  Zr35  1  0.855831  0.605786  0.491181  1
  Zr  Zr36  1  0.355831  0.105786  0.491181  1
  Zr  Zr37  1  0.228966  0.229864  0.544890  1
  Zr  Zr38  1  0.728966  0.729864  0.544890  1
  Zr  Zr39  1  0.813636  0.314832  0.510187  1
  Zr  Zr40  1  0.313636  0.814832  0.510187  1
  Zr  Zr41  1  0.521348  0.272139  0.527661  1
  Zr  Zr42  1  0.021348  0.772139  0.527661  1
  Zr  Zr43  1  0.937970  0.188108  0.563808  1
  Zr  Zr44  1  0.437970  0.688108  0.563808  1
  Zr  Zr45  1  0.271211  0.522347  0.527654  1
  Zr  Zr46  1  0.771211  0.022347  0.527654  1
  Zr  Zr47  1  0.687106  0.438905  0.563823  1
  Zr  Zr48  1  0.187106  0.938905  0.563823  1
  Zr  Zr49  1  0.063199  0.064140  0.618056  1
  Zr  Zr50  1  0.563199  0.564140  0.618056  1
  Zr  Zr51  1  0.646268  0.147084  0.581539  1
  Zr  Zr52  1  0.146268  0.647084  0.581539  1
  Zr  Zr53  1  0.354155  0.106058  0.598842  1
  Zr  Zr54  1  0.854155  0.606058  0.598842  1
  Zr  Zr55  1  0.771482  0.021059  0.635369  1
  Zr  Zr56  1  0.271482  0.521059  0.635369  1
  Zr  Zr57  1  0.105293  0.354970  0.598838  1
  Zr  Zr58  1  0.605293  0.854970  0.598838  1
  Zr  Zr59  1  0.520318  0.272208  0.635351  1
  Zr  Zr60  1  0.020318  0.772208  0.635351  1
  Zr  Zr61  1  0.892380  0.892764  0.689084  1
  Zr  Zr62  1  0.392380  0.392764  0.689084  1
  Zr  Zr63  1  0.478219  0.978855  0.651965  1
  Zr  Zr64  1  0.978219  0.478855  0.651965  1
  Zr  Zr65  1  0.188726  0.935190  0.672046  1
  Zr  Zr66  1  0.688726  0.435190  0.672046  1
  Zr  Zr67  1  0.604777  0.857689  0.705390  1
  Zr  Zr68  1  0.104777  0.357689  0.705390  1
  Zr  Zr69  1  0.934454  0.189384  0.672090  1
  Zr  Zr70  1  0.434454  0.689384  0.672090  1
  Zr  Zr71  1  0.357225  0.104872  0.705419  1
  Zr  Zr72  1  0.857225  0.604872  0.705419  1
  Cu  Cu73  1  0.057663  0.059880  0.301291  1
  Cu  Cu74  1  0.557663  0.559880  0.301291  1
  Cu  Cu75  1  0.489816  0.990320  0.333140  1
  Cu  Cu76  1  0.989816  0.490320  0.333140  1
  Cu  Cu77  1  0.897312  0.898522  0.365534  1
  Cu  Cu78  1  0.397312  0.398522  0.365534  1
  Cu  Cu79  1  0.313572  0.814963  0.402438  1
  Cu  Cu80  1  0.813572  0.314963  0.402438  1
  Cu  Cu81  1  0.730572  0.731722  0.437798  1
  Cu  Cu82  1  0.230572  0.231722  0.437798  1
  Cu  Cu83  1  0.146563  0.647656  0.473798  1
  Cu  Cu84  1  0.646563  0.147656  0.473798  1
  Cu  Cu85  1  0.563097  0.564144  0.509697  1
  Cu  Cu86  1  0.063097  0.064144  0.509697  1
  Cu  Cu87  1  0.979624  0.480552  0.545475  1
  Cu  Cu88  1  0.479624  0.980552  0.545475  1
  Cu  Cu89  1  0.396103  0.396973  0.581401  1
  Cu  Cu90  1  0.896103  0.896973  0.581401  1
  Cu  Cu91  1  0.812372  0.313185  0.617422  1
  Cu  Cu92  1  0.312372  0.813185  0.617422  1
  Cu  Cu93  1  0.227990  0.228633  0.653511  1
  Cu  Cu94  1  0.727990  0.728633  0.653511  1
  Cu  Cu95  1  0.638999  0.139699  0.684973  1
  Cu  Cu96  1  0.138999  0.639699  0.684973  1
