# generated using pymatgen
data_Zr3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28702349
_cell_length_b   15.55356212
_cell_length_c   47.01644269
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Cu
_chemical_formula_sum   'Zr54 Cu18'
_cell_volume   3134.98522476
_cell_formula_units_Z   18
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  1.005532  0.770436  0.286456  1
  Zr  Zr2  1  1.005532  0.375024  0.312763  1
  Zr  Zr3  1  1.005532  0.990560  0.337721  1
  Zr  Zr4  1  1.005532  0.566776  0.298245  1
  Zr  Zr5  1  1.005532  0.182278  0.324765  1
  Zr  Zr6  1  1.005532  0.956036  0.274990  1
  Zr  Zr7  1  0.505532  0.683379  0.324400  1
  Zr  Zr8  1  0.505532  0.442281  0.275122  1
  Zr  Zr9  1  0.505532  0.074227  0.298491  1
  Zr  Zr10  1  1.005532  0.606645  0.363060  1
  Zr  Zr11  1  1.005532  0.221322  0.389509  1
  Zr  Zr12  1  1.005532  0.836149  0.414767  1
  Zr  Zr13  1  1.005532  0.414788  0.376781  1
  Zr  Zr14  1  1.005532  0.028471  0.401979  1
  Zr  Zr15  1  1.005532  0.798760  0.350048  1
  Zr  Zr16  1  0.505532  0.530026  0.402199  1
  Zr  Zr17  1  0.505532  0.298516  0.351481  1
  Zr  Zr18  1  0.505532  0.913263  0.376255  1
  Zr  Zr19  1  1.005532  0.452709  0.441130  1
  Zr  Zr20  1  1.005532  0.066439  0.465911  1
  Zr  Zr21  1  1.005532  0.682457  0.492551  1
  Zr  Zr22  1  1.005532  0.259911  0.453659  1
  Zr  Zr23  1  1.005532  0.874228  0.479276  1
  Zr  Zr24  1  1.005532  0.644597  0.427845  1
  Zr  Zr25  1  0.505532  0.375625  0.479528  1
  Zr  Zr26  1  0.505532  0.144262  0.427858  1
  Zr  Zr27  1  0.505532  0.759293  0.453636  1
  Zr  Zr28  1  1.005532  0.298599  0.517905  1
  Zr  Zr29  1  1.005532  0.912693  0.543657  1
  Zr  Zr30  1  1.005532  0.529369  0.570726  1
  Zr  Zr31  1  1.005532  0.105221  0.529430  1
  Zr  Zr32  1  1.005532  0.720695  0.557306  1
  Zr  Zr33  1  1.005532  0.490953  0.505677  1
  Zr  Zr34  1  0.505532  0.221159  0.555808  1
  Zr  Zr35  1  0.505532  0.989173  0.504745  1
  Zr  Zr36  1  0.505532  0.605733  0.531578  1
  Zr  Zr37  1  1.005532  0.140389  0.592554  1
  Zr  Zr38  1  1.005532  0.758481  0.622161  1
  Zr  Zr39  1  1.005532  0.375438  0.647585  1
  Zr  Zr40  1  1.005532  0.949825  0.608291  1
  Zr  Zr41  1  1.005532  0.565819  0.636304  1
  Zr  Zr42  1  1.005532  0.336535  0.582226  1
  Zr  Zr43  1  0.505532  0.065628  0.632563  1
  Zr  Zr44  1  0.505532  0.835367  0.582749  1
  Zr  Zr45  1  0.505532  0.451377  0.608864  1
  Zr  Zr46  1  1.005532  0.994872  0.673330  1
  Zr  Zr47  1  1.005532  0.598183  0.701501  1
  Zr  Zr48  1  1.005532  0.171479  0.717182  1
  Zr  Zr49  1  1.005532  0.799772  0.687343  1
  Zr  Zr50  1  1.005532  0.398587  0.710924  1
  Zr  Zr51  1  1.005532  0.185583  0.653950  1
  Zr  Zr52  1  0.505532  0.922759  0.711659  1
  Zr  Zr53  1  0.505532  0.681206  0.661156  1
  Zr  Zr54  1  0.505532  0.286177  0.684881  1
  Cu  Cu55  1  0.505532  0.490867  0.337159  1
  Cu  Cu56  1  0.505532  0.264027  0.293376  1
  Cu  Cu57  1  0.505532  0.879581  0.312719  1
  Cu  Cu58  1  0.505532  0.337385  0.415237  1
  Cu  Cu59  1  0.505532  0.106030  0.363427  1
  Cu  Cu60  1  0.505532  0.721481  0.388941  1
  Cu  Cu61  1  0.505532  0.182711  0.491874  1
  Cu  Cu62  1  0.505532  0.951330  0.440587  1
  Cu  Cu63  1  0.505532  0.567689  0.466675  1
  Cu  Cu64  1  0.505532  0.026865  0.568651  1
  Cu  Cu65  1  0.505532  0.797031  0.518211  1
  Cu  Cu66  1  0.505532  0.414180  0.543749  1
  Cu  Cu67  1  0.505532  0.876527  0.648487  1
  Cu  Cu68  1  0.505532  0.643453  0.596549  1
  Cu  Cu69  1  0.505532  0.260208  0.619254  1
  Cu  Cu70  1  0.505532  0.727594  0.716900  1
  Cu  Cu71  1  0.505532  0.484106  0.673441  1
  Cu  Cu72  1  0.505532  0.101918  0.691091  1
