# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38881943
_cell_length_b   31.53437058
_cell_length_c   46.84980768
_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   'Zr72 Cu36'
_cell_volume   5006.57133477
_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  0.000979  0.236222  0.310554  1
  Zr  Zr2  1  0.000979  0.564179  0.334325  1
  Zr  Zr3  1  0.000979  0.894107  0.357226  1
  Zr  Zr4  1  0.500979  0.166879  0.341414  1
  Zr  Zr5  1  0.500979  0.503030  0.298104  1
  Zr  Zr6  1  0.500979  0.835111  0.317624  1
  Zr  Zr7  1  0.500979  0.064179  0.334325  1
  Zr  Zr8  1  0.500979  0.394107  0.357226  1
  Zr  Zr9  1  0.500979  0.736222  0.310554  1
  Zr  Zr10  1  0.000979  0.003030  0.298104  1
  Zr  Zr11  1  0.000979  0.335111  0.317624  1
  Zr  Zr12  1  0.000979  0.666879  0.341414  1
  Zr  Zr13  1  0.000979  0.225961  0.381032  1
  Zr  Zr14  1  0.000979  0.554982  0.404110  1
  Zr  Zr15  1  0.000979  0.883856  0.429053  1
  Zr  Zr16  1  0.500979  0.152533  0.411497  1
  Zr  Zr17  1  0.500979  0.491395  0.362874  1
  Zr  Zr18  1  0.500979  0.823261  0.387849  1
  Zr  Zr19  1  0.500979  0.054982  0.404110  1
  Zr  Zr20  1  0.500979  0.383856  0.429053  1
  Zr  Zr21  1  0.500979  0.725961  0.381032  1
  Zr  Zr22  1  0.000979  0.991395  0.362874  1
  Zr  Zr23  1  0.000979  0.323261  0.387849  1
  Zr  Zr24  1  0.000979  0.652533  0.411497  1
  Zr  Zr25  1  0.000979  0.213559  0.452954  1
  Zr  Zr26  1  0.000979  0.542919  0.476178  1
  Zr  Zr27  1  0.000979  0.872554  0.501079  1
  Zr  Zr28  1  0.500979  0.141399  0.483688  1
  Zr  Zr29  1  0.500979  0.482005  0.435195  1
  Zr  Zr30  1  0.500979  0.811964  0.460345  1
  Zr  Zr31  1  0.500979  0.042919  0.476178  1
  Zr  Zr32  1  0.500979  0.372554  0.501079  1
  Zr  Zr33  1  0.500979  0.713559  0.452954  1
  Zr  Zr34  1  0.000979  0.982005  0.435195  1
  Zr  Zr35  1  0.000979  0.311964  0.460345  1
  Zr  Zr36  1  0.000979  0.641399  0.483688  1
  Zr  Zr37  1  0.000979  0.202082  0.525118  1
  Zr  Zr38  1  0.000979  0.531517  0.548461  1
  Zr  Zr39  1  0.000979  0.861476  0.573611  1
  Zr  Zr40  1  0.500979  0.129921  0.555852  1
  Zr  Zr41  1  0.500979  0.470927  0.507728  1
  Zr  Zr42  1  0.500979  0.800561  0.532628  1
  Zr  Zr43  1  0.500979  0.031517  0.548461  1
  Zr  Zr44  1  0.500979  0.361476  0.573611  1
  Zr  Zr45  1  0.500979  0.702082  0.525118  1
  Zr  Zr46  1  0.000979  0.970927  0.507728  1
  Zr  Zr47  1  0.000979  0.300561  0.532628  1
  Zr  Zr48  1  0.000979  0.629921  0.555852  1
  Zr  Zr49  1  0.000979  0.190948  0.597309  1
  Zr  Zr50  1  0.000979  0.520219  0.620957  1
  Zr  Zr51  1  0.000979  0.852086  0.645933  1
  Zr  Zr52  1  0.500979  0.117519  0.627774  1
  Zr  Zr53  1  0.500979  0.459624  0.579753  1
  Zr  Zr54  1  0.500979  0.788499  0.604696  1
  Zr  Zr55  1  0.500979  0.020219  0.620957  1
  Zr  Zr56  1  0.500979  0.352086  0.645933  1
  Zr  Zr57  1  0.500979  0.690948  0.597309  1
  Zr  Zr58  1  0.000979  0.959624  0.579753  1
  Zr  Zr59  1  0.000979  0.288499  0.604696  1
  Zr  Zr60  1  0.000979  0.617519  0.627774  1
  Zr  Zr61  1  0.000979  0.176602  0.667392  1
  Zr  Zr62  1  0.000979  0.508370  0.691183  1
  Zr  Zr63  1  0.000979  0.840450  0.710702  1
  Zr  Zr64  1  0.500979  0.107259  0.698252  1
  Zr  Zr65  1  0.500979  0.449374  0.651581  1
  Zr  Zr66  1  0.500979  0.779302  0.674481  1
  Zr  Zr67  1  0.500979  0.008370  0.691183  1
  Zr  Zr68  1  0.500979  0.340450  0.710702  1
  Zr  Zr69  1  0.500979  0.676602  0.667392  1
  Zr  Zr70  1  0.000979  0.949374  0.651581  1
  Zr  Zr71  1  0.000979  0.279302  0.674481  1
  Zr  Zr72  1  0.000979  0.607259  0.698252  1
  Cu  Cu73  1  0.500979  0.943815  0.323416  1
  Cu  Cu74  1  0.500979  0.279981  0.348231  1
  Cu  Cu75  1  0.500979  0.620179  0.308618  1
  Cu  Cu76  1  0.000979  0.120179  0.308618  1
  Cu  Cu77  1  0.000979  0.443815  0.323416  1
  Cu  Cu78  1  0.000979  0.779981  0.348231  1
  Cu  Cu79  1  0.500979  0.938079  0.395520  1
  Cu  Cu80  1  0.500979  0.268870  0.420933  1
  Cu  Cu81  1  0.500979  0.610327  0.370551  1
  Cu  Cu82  1  0.000979  0.110327  0.370551  1
  Cu  Cu83  1  0.000979  0.438079  0.395520  1
  Cu  Cu84  1  0.000979  0.768870  0.420933  1
  Cu  Cu85  1  0.500979  0.927545  0.468409  1
  Cu  Cu86  1  0.500979  0.257119  0.492777  1
  Cu  Cu87  1  0.500979  0.597983  0.444267  1
  Cu  Cu88  1  0.000979  0.097983  0.444267  1
  Cu  Cu89  1  0.000979  0.427545  0.468409  1
  Cu  Cu90  1  0.000979  0.757119  0.492777  1
  Cu  Cu91  1  0.500979  0.915935  0.540397  1
  Cu  Cu92  1  0.500979  0.245497  0.564539  1
  Cu  Cu93  1  0.500979  0.586361  0.516029  1
  Cu  Cu94  1  0.000979  0.086361  0.516029  1
  Cu  Cu95  1  0.000979  0.415935  0.540397  1
  Cu  Cu96  1  0.000979  0.745497  0.564539  1
  Cu  Cu97  1  0.500979  0.905401  0.613286  1
  Cu  Cu98  1  0.500979  0.233154  0.638256  1
  Cu  Cu99  1  0.500979  0.574611  0.587874  1
  Cu  Cu100  1  0.000979  0.074611  0.587874  1
  Cu  Cu101  1  0.000979  0.405401  0.613286  1
  Cu  Cu102  1  0.000979  0.733154  0.638256  1
  Cu  Cu103  1  0.500979  0.899666  0.685390  1
  Cu  Cu104  1  0.500979  0.223301  0.700189  1
  Cu  Cu105  1  0.500979  0.563500  0.660576  1
  Cu  Cu106  1  0.000979  0.063500  0.660576  1
  Cu  Cu107  1  0.000979  0.399666  0.685390  1
  Cu  Cu108  1  0.000979  0.723301  0.700189  1
