# generated using pymatgen
data_Zr3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50872660
_cell_length_b   13.21059979
_cell_length_c   48.36954211
_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   'Zr45 Cu15'
_cell_volume   2881.03420174
_cell_formula_units_Z   15
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  0.980674  0.305219  0.319625  1
  Zr  Zr2  1  0.980674  0.868005  0.372970  1
  Zr  Zr3  1  0.980674  0.635377  0.349490  1
  Zr  Zr4  1  0.980674  0.106322  0.353337  1
  Zr  Zr5  1  0.980674  0.844196  0.309380  1
  Zr  Zr6  1  0.980674  0.426431  0.370565  1
  Zr  Zr7  1  0.480674  0.271996  0.366094  1
  Zr  Zr8  1  0.480674  0.955546  0.338976  1
  Zr  Zr9  1  0.480674  0.694212  0.312918  1
  Zr  Zr10  1  0.980674  0.242797  0.408403  1
  Zr  Zr11  1  0.980674  0.845193  0.463632  1
  Zr  Zr12  1  0.980674  0.474607  0.431297  1
  Zr  Zr13  1  0.980674  0.022064  0.419914  1
  Zr  Zr14  1  0.980674  0.698659  0.414446  1
  Zr  Zr15  1  0.980674  0.296717  0.470878  1
  Zr  Zr16  1  0.480674  0.157422  0.447456  1
  Zr  Zr17  1  0.480674  0.864854  0.420114  1
  Zr  Zr18  1  0.480674  0.564275  0.393655  1
  Zr  Zr19  1  0.980674  0.070906  0.484274  1
  Zr  Zr20  1  0.980674  0.669664  0.541913  1
  Zr  Zr21  1  0.980674  0.442480  0.520925  1
  Zr  Zr22  1  0.980674  0.896612  0.526484  1
  Zr  Zr23  1  0.980674  0.622605  0.479408  1
  Zr  Zr24  1  0.980674  0.217926  0.534797  1
  Zr  Zr25  1  0.480674  0.059016  0.530347  1
  Zr  Zr26  1  0.480674  0.760692  0.504228  1
  Zr  Zr27  1  0.480674  0.461929  0.476642  1
  Zr  Zr28  1  0.980674  0.042043  0.576554  1
  Zr  Zr29  1  0.980674  0.640789  0.632726  1
  Zr  Zr30  1  0.980674  0.268900  0.597547  1
  Zr  Zr31  1  0.980674  0.818333  0.590141  1
  Zr  Zr32  1  0.980674  0.493169  0.584228  1
  Zr  Zr33  1  0.980674  0.091331  0.640053  1
  Zr  Zr34  1  0.480674  0.961822  0.615236  1
  Zr  Zr35  1  0.480674  0.657670  0.586567  1
  Zr  Zr36  1  0.480674  0.358489  0.559203  1
  Zr  Zr37  1  0.980674  0.866810  0.651395  1
  Zr  Zr38  1  0.980674  0.465027  0.709575  1
  Zr  Zr39  1  0.980674  0.233922  0.689475  1
  Zr  Zr40  1  0.980674  0.697651  0.697498  1
  Zr  Zr41  1  0.980674  0.414779  0.649128  1
  Zr  Zr42  1  0.980674  1.004902  0.703508  1
  Zr  Zr43  1  0.480674  0.854293  0.691781  1
  Zr  Zr44  1  0.480674  0.568558  0.670035  1
  Zr  Zr45  1  0.480674  0.254444  0.640309  1
  Cu  Cu46  1  0.480674  0.162818  0.320500  1
  Cu  Cu47  1  0.480674  0.756418  0.366523  1
  Cu  Cu48  1  0.480674  0.482861  0.338883  1
  Cu  Cu49  1  0.480674  0.072710  0.389399  1
  Cu  Cu50  1  0.480674  0.669959  0.448668  1
  Cu  Cu51  1  0.480674  0.359929  0.421542  1
  Cu  Cu52  1  0.480674  0.957684  0.475638  1
  Cu  Cu53  1  0.480674  0.557982  0.531453  1
  Cu  Cu54  1  0.480674  0.260385  0.503193  1
  Cu  Cu55  1  0.480674  0.865352  0.559413  1
  Cu  Cu56  1  0.480674  0.460617  0.616575  1
  Cu  Cu57  1  0.480674  0.158185  0.585442  1
  Cu  Cu58  1  0.480674  0.758269  0.639542  1
  Cu  Cu59  1  0.480674  0.368698  0.687730  1
  Cu  Cu60  1  0.480674  0.066183  0.672936  1
