# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.77018793
_cell_length_b   7.18789226
_cell_length_c   46.56372600
_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   3604.72854109
_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  0.659216  0.186973  0.330446  1
  Zr  Zr2  1  0.654502  0.777751  0.299922  1
  Zr  Zr3  1  0.857984  0.479787  0.312304  1
  Zr  Zr4  1  0.862366  0.070715  0.286160  1
  Zr  Zr5  1  0.158300  0.479787  0.312304  1
  Zr  Zr6  1  0.153918  0.070715  0.286160  1
  Zr  Zr7  1  0.357069  0.186973  0.330446  1
  Zr  Zr8  1  0.361783  0.777751  0.299922  1
  Zr  Zr9  1  0.655819  0.977476  0.392912  1
  Zr  Zr10  1  0.650415  0.582989  0.360863  1
  Zr  Zr11  1  0.859593  0.284316  0.376923  1
  Zr  Zr12  1  0.862278  0.880386  0.346343  1
  Zr  Zr13  1  0.156691  0.284316  0.376923  1
  Zr  Zr14  1  0.154007  0.880386  0.346343  1
  Zr  Zr15  1  0.360465  0.977476  0.392912  1
  Zr  Zr16  1  0.365869  0.582989  0.360863  1
  Zr  Zr17  1  0.656823  0.777601  0.455673  1
  Zr  Zr18  1  0.655299  0.378306  0.423803  1
  Zr  Zr19  1  0.860187  0.077835  0.439976  1
  Zr  Zr20  1  0.863349  0.678176  0.407643  1
  Zr  Zr21  1  0.156098  0.077835  0.439976  1
  Zr  Zr22  1  0.152935  0.678176  0.407643  1
  Zr  Zr23  1  0.359462  0.777601  0.455673  1
  Zr  Zr24  1  0.360986  0.378306  0.423803  1
  Zr  Zr25  1  0.654883  0.574065  0.518205  1
  Zr  Zr26  1  0.654334  0.176878  0.486601  1
  Zr  Zr27  1  0.861950  0.874400  0.502608  1
  Zr  Zr28  1  0.861402  0.477213  0.471005  1
  Zr  Zr29  1  0.154334  0.874400  0.502608  1
  Zr  Zr30  1  0.154883  0.477213  0.471005  1
  Zr  Zr31  1  0.361402  0.574065  0.518205  1
  Zr  Zr32  1  0.361950  0.176878  0.486601  1
  Zr  Zr33  1  0.652935  0.373102  0.581567  1
  Zr  Zr34  1  0.656098  0.973442  0.549234  1
  Zr  Zr35  1  0.860986  0.672972  0.565406  1
  Zr  Zr36  1  0.859462  0.273677  0.533537  1
  Zr  Zr37  1  0.155299  0.672972  0.565406  1
  Zr  Zr38  1  0.156823  0.273677  0.533537  1
  Zr  Zr39  1  0.363349  0.373102  0.581567  1
  Zr  Zr40  1  0.360187  0.973442  0.549234  1
  Zr  Zr41  1  0.654007  0.170891  0.642867  1
  Zr  Zr42  1  0.656691  0.766962  0.612286  1
  Zr  Zr43  1  0.865869  0.468289  0.628346  1
  Zr  Zr44  1  0.860465  0.073802  0.596298  1
  Zr  Zr45  1  0.150415  0.468289  0.628346  1
  Zr  Zr46  1  0.155819  0.073802  0.596298  1
  Zr  Zr47  1  0.362278  0.170891  0.642867  1
  Zr  Zr48  1  0.359593  0.766962  0.612286  1
  Zr  Zr49  1  0.653918  0.980563  0.703050  1
  Zr  Zr50  1  0.658300  0.571490  0.676906  1
  Zr  Zr51  1  0.861783  0.273527  0.689288  1
  Zr  Zr52  1  0.857069  0.864305  0.658764  1
  Zr  Zr53  1  0.154502  0.273527  0.689288  1
  Zr  Zr54  1  0.159216  0.864305  0.658764  1
  Zr  Zr55  1  0.362366  0.980563  0.703050  1
  Zr  Zr56  1  0.357984  0.571490  0.676906  1
  Cu  Cu57  1  0.508142  0.464905  0.311375  1
  Cu  Cu58  1  0.508142  0.079697  0.289219  1
  Cu  Cu59  1  0.008142  0.189167  0.331442  1
  Cu  Cu60  1  0.008142  0.775170  0.300947  1
  Cu  Cu61  1  0.508142  0.275169  0.376652  1
  Cu  Cu62  1  0.508142  0.897423  0.344876  1
  Cu  Cu63  1  0.008142  0.988955  0.393317  1
  Cu  Cu64  1  0.008142  0.573850  0.358193  1
  Cu  Cu65  1  0.508142  0.075248  0.439577  1
  Cu  Cu66  1  0.508142  0.679957  0.409576  1
  Cu  Cu67  1  0.008142  0.778177  0.455107  1
  Cu  Cu68  1  0.008142  0.374238  0.424135  1
  Cu  Cu69  1  0.508142  0.874519  0.502374  1
  Cu  Cu70  1  0.508142  0.480182  0.470562  1
  Cu  Cu71  1  0.008142  0.571096  0.518648  1
  Cu  Cu72  1  0.008142  0.176758  0.486835  1
  Cu  Cu73  1  0.508142  0.677040  0.565075  1
  Cu  Cu74  1  0.508142  0.273100  0.534102  1
  Cu  Cu75  1  0.008142  0.371321  0.579634  1
  Cu  Cu76  1  0.008142  0.976030  0.549632  1
  Cu  Cu77  1  0.508142  0.477428  0.631017  1
  Cu  Cu78  1  0.508142  0.062323  0.595892  1
  Cu  Cu79  1  0.008142  0.153855  0.644334  1
  Cu  Cu80  1  0.008142  0.776109  0.612558  1
  Cu  Cu81  1  0.508142  0.276108  0.688263  1
  Cu  Cu82  1  0.508142  0.862111  0.657767  1
  Cu  Cu83  1  0.008142  0.971581  0.699991  1
  Cu  Cu84  1  0.008142  0.586373  0.677835  1
