# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42012844
_cell_length_b   7.53370734
_cell_length_c   46.62633700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.09863385
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr20 Cu20'
_cell_volume   1484.02757626
_cell_formula_units_Z   20
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  0.739632  0.351105  0.311110  1
  Zr  Zr2  1  0.514017  0.900085  0.289370  1
  Zr  Zr3  1  0.192532  0.256363  0.356021  1
  Zr  Zr4  1  0.965322  0.802267  0.334471  1
  Zr  Zr5  1  0.643909  0.158281  0.402271  1
  Zr  Zr6  1  0.417459  0.705905  0.378372  1
  Zr  Zr7  1  0.098370  0.066588  0.447957  1
  Zr  Zr8  1  0.871457  0.613035  0.425368  1
  Zr  Zr9  1  0.551096  0.971547  0.493109  1
  Zr  Zr10  1  0.324671  0.518946  0.470371  1
  Zr  Zr11  1  0.004632  0.878110  0.538902  1
  Zr  Zr12  1  0.777874  0.424841  0.516033  1
  Zr  Zr13  1  0.457892  0.784117  0.584318  1
  Zr  Zr14  1  0.231341  0.331286  0.561440  1
  Zr  Zr15  1  0.910973  0.689668  0.630229  1
  Zr  Zr16  1  0.684334  0.236742  0.606757  1
  Zr  Zr17  1  0.365020  0.597282  0.675539  1
  Zr  Zr18  1  0.138357  0.144240  0.652830  1
  Zr  Zr19  1  0.817680  0.502218  0.718406  1
  Zr  Zr20  1  0.590432  0.048024  0.698668  1
  Cu  Cu21  1  0.900086  0.672589  0.280981  1
  Cu  Cu22  1  0.123284  0.118506  0.300474  1
  Cu  Cu23  1  0.351966  0.575862  0.317871  1
  Cu  Cu24  1  0.580182  0.031881  0.345009  1
  Cu  Cu25  1  0.803924  0.478963  0.368739  1
  Cu  Cu26  1  0.031590  0.933876  0.391445  1
  Cu  Cu27  1  0.258139  0.386573  0.413255  1
  Cu  Cu28  1  0.484460  0.838897  0.435865  1
  Cu  Cu29  1  0.711209  0.292113  0.459137  1
  Cu  Cu30  1  0.937993  0.745444  0.482167  1
  Cu  Cu31  1  0.164645  0.198514  0.504712  1
  Cu  Cu32  1  0.391363  0.651708  0.527281  1
  Cu  Cu33  1  0.617774  0.104286  0.549999  1
  Cu  Cu34  1  0.844668  0.557807  0.573011  1
  Cu  Cu35  1  0.071192  0.010593  0.595791  1
  Cu  Cu36  1  0.297879  0.463665  0.618131  1
  Cu  Cu37  1  0.525032  0.917665  0.641390  1
  Cu  Cu38  1  0.749230  0.365809  0.663801  1
  Cu  Cu39  1  0.980644  0.828479  0.686430  1
  Cu  Cu40  1  0.205045  0.277060  0.708363  1
