# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76390987
_cell_length_b   10.94884663
_cell_length_c   46.86367802
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.56993856
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr36 Cu18'
_cell_volume   2385.78842053
_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  0.480409  0.536167  0.319187  1
  Zr  Zr2  1  0.884053  0.343441  0.311362  1
  Zr  Zr3  1  0.737930  0.051221  0.297755  1
  Zr  Zr4  1  0.149087  0.873578  0.290062  1
  Zr  Zr5  1  0.953691  0.482732  0.369929  1
  Zr  Zr6  1  0.359375  0.294085  0.359084  1
  Zr  Zr7  1  0.219175  0.013713  0.346416  1
  Zr  Zr8  1  0.620224  0.815784  0.338129  1
  Zr  Zr9  1  0.428634  0.432620  0.420731  1
  Zr  Zr10  1  0.835101  0.245542  0.410350  1
  Zr  Zr11  1  0.693110  0.961585  0.396133  1
  Zr  Zr12  1  0.094654  0.764629  0.383978  1
  Zr  Zr13  1  0.904612  0.384587  0.471073  1
  Zr  Zr14  1  0.309464  0.194272  0.461208  1
  Zr  Zr15  1  0.167215  0.909795  0.445743  1
  Zr  Zr16  1  0.571250  0.717829  0.434527  1
  Zr  Zr17  1  0.379923  0.335218  0.521356  1
  Zr  Zr18  1  0.784469  0.144285  0.511435  1
  Zr  Zr19  1  0.642361  0.860089  0.495729  1
  Zr  Zr20  1  0.046472  0.668283  0.485551  1
  Zr  Zr21  1  0.854946  0.285271  0.572367  1
  Zr  Zr22  1  0.259894  0.095139  0.561657  1
  Zr  Zr23  1  0.117533  0.810437  0.545815  1
  Zr  Zr24  1  0.521583  0.618512  0.535982  1
  Zr  Zr25  1  0.331063  0.237514  0.623828  1
  Zr  Zr26  1  0.734410  0.044169  0.611811  1
  Zr  Zr27  1  0.592148  0.759670  0.596201  1
  Zr  Zr28  1  0.997278  0.569912  0.586083  1
  Zr  Zr29  1  0.807769  0.190913  0.672053  1
  Zr  Zr30  1  0.206554  0.988457  0.661336  1
  Zr  Zr31  1  0.067114  0.709608  0.647021  1
  Zr  Zr32  1  0.472835  0.521040  0.636304  1
  Zr  Zr33  1  0.280293  0.135911  0.716199  1
  Zr  Zr34  1  0.684209  0.943774  0.708864  1
  Zr  Zr35  1  0.541026  0.657430  0.695247  1
  Zr  Zr36  1  0.949447  0.474277  0.686808  1
  Cu  Cu37  1  0.591874  0.759193  0.283241  1
  Cu  Cu38  1  0.310510  0.196357  0.301940  1
  Cu  Cu39  1  0.045752  0.666816  0.325026  1
  Cu  Cu40  1  0.789181  0.153711  0.353079  1
  Cu  Cu41  1  0.521566  0.618464  0.377583  1
  Cu  Cu42  1  0.265319  0.105995  0.403797  1
  Cu  Cu43  1  0.999826  0.574990  0.427672  1
  Cu  Cu44  1  0.739298  0.053952  0.453323  1
  Cu  Cu45  1  0.475986  0.527321  0.478154  1
  Cu  Cu46  1  0.213690  1.002739  0.503640  1
  Cu  Cu47  1  0.950276  0.475910  0.528758  1
  Cu  Cu48  1  0.688480  0.952321  0.553947  1
  Cu  Cu49  1  0.425360  0.426088  0.579130  1
  Cu  Cu50  1  0.162533  0.900424  0.603473  1
  Cu  Cu51  1  0.902640  0.380661  0.629772  1
  Cu  Cu52  1  0.636060  0.847482  0.653514  1
  Cu  Cu53  1  0.384602  0.344597  0.680993  1
  Cu  Cu54  1  0.111917  0.799206  0.704731  1
