# generated using pymatgen
data_Zr3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29204948
_cell_length_b   15.55520053
_cell_length_c   46.90049788
_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   3131.25031481
_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  0.503771  0.682308  0.324475  1
  Zr  Zr2  1  0.503771  0.443831  0.275268  1
  Zr  Zr3  1  0.503771  0.071151  0.299123  1
  Zr  Zr4  1  1.003771  0.565514  0.298686  1
  Zr  Zr5  1  1.003771  0.180380  0.324532  1
  Zr  Zr6  1  1.003771  0.954123  0.275336  1
  Zr  Zr7  1  1.003771  0.769430  0.286119  1
  Zr  Zr8  1  1.003771  0.373589  0.312306  1
  Zr  Zr9  1  1.003771  0.989231  0.338186  1
  Zr  Zr10  1  0.503771  0.528413  0.402396  1
  Zr  Zr11  1  0.503771  0.296620  0.351294  1
  Zr  Zr12  1  0.503771  0.911760  0.376705  1
  Zr  Zr13  1  1.003771  0.412746  0.376825  1
  Zr  Zr14  1  1.003771  0.026938  0.402529  1
  Zr  Zr15  1  1.003771  0.797023  0.350102  1
  Zr  Zr16  1  1.003771  0.605419  0.363224  1
  Zr  Zr17  1  1.003771  0.219677  0.389539  1
  Zr  Zr18  1  1.003771  0.834666  0.414927  1
  Zr  Zr19  1  0.503771  0.374272  0.479433  1
  Zr  Zr20  1  0.503771  0.142924  0.428191  1
  Zr  Zr21  1  0.503771  0.758175  0.453703  1
  Zr  Zr22  1  1.003771  0.258583  0.453682  1
  Zr  Zr23  1  1.003771  0.873210  0.479389  1
  Zr  Zr24  1  1.003771  0.643181  0.427896  1
  Zr  Zr25  1  1.003771  0.451108  0.441038  1
  Zr  Zr26  1  1.003771  0.065704  0.466419  1
  Zr  Zr27  1  1.003771  0.681367  0.492409  1
  Zr  Zr28  1  0.503771  0.220411  0.555865  1
  Zr  Zr29  1  0.503771  0.988398  0.504956  1
  Zr  Zr30  1  0.503771  0.604690  0.531237  1
  Zr  Zr31  1  1.003771  0.104151  0.530131  1
  Zr  Zr32  1  1.003771  0.719682  0.557010  1
  Zr  Zr33  1  1.003771  0.489857  0.505371  1
  Zr  Zr34  1  1.003771  0.297363  0.517802  1
  Zr  Zr35  1  1.003771  0.911757  0.543647  1
  Zr  Zr36  1  1.003771  0.528498  0.570278  1
  Zr  Zr37  1  0.503771  0.064858  0.632809  1
  Zr  Zr38  1  0.503771  0.834605  0.582389  1
  Zr  Zr39  1  0.503771  0.450934  0.608426  1
  Zr  Zr40  1  1.003771  0.949951  0.608063  1
  Zr  Zr41  1  1.003771  0.564927  0.635859  1
  Zr  Zr42  1  1.003771  0.336445  0.581929  1
  Zr  Zr43  1  1.003771  0.141908  0.593496  1
  Zr  Zr44  1  1.003771  0.757295  0.621622  1
  Zr  Zr45  1  1.003771  0.373712  0.647347  1
  Zr  Zr46  1  0.503771  0.915668  0.710994  1
  Zr  Zr47  1  0.503771  0.679325  0.660718  1
  Zr  Zr48  1  0.503771  0.287526  0.685052  1
  Zr  Zr49  1  1.003771  0.796381  0.686754  1
  Zr  Zr50  1  1.003771  0.399362  0.710677  1
  Zr  Zr51  1  1.003771  0.183054  0.655785  1
  Zr  Zr52  1  0.003771  0.992120  0.673905  1
  Zr  Zr53  1  1.003771  0.596051  0.701652  1
  Zr  Zr54  1  1.003771  0.177255  0.719050  1
  Cu  Cu55  1  0.503771  0.488861  0.338018  1
  Cu  Cu56  1  0.503771  0.261652  0.291959  1
  Cu  Cu57  1  0.503771  0.877371  0.313118  1
  Cu  Cu58  1  0.503771  0.335739  0.415324  1
  Cu  Cu59  1  0.503771  0.104512  0.364017  1
  Cu  Cu60  1  0.503771  0.719947  0.389256  1
  Cu  Cu61  1  0.503771  0.181562  0.492113  1
  Cu  Cu62  1  0.503771  0.950223  0.440881  1
  Cu  Cu63  1  0.503771  0.566426  0.466563  1
  Cu  Cu64  1  0.503771  0.026752  0.568869  1
  Cu  Cu65  1  0.503771  0.796081  0.518169  1
  Cu  Cu66  1  0.503771  0.413150  0.543459  1
  Cu  Cu67  1  0.503771  0.874631  0.647163  1
  Cu  Cu68  1  0.503771  0.642592  0.595810  1
  Cu  Cu69  1  0.503771  0.259311  0.619524  1
  Cu  Cu70  1  0.503771  0.724023  0.717842  1
  Cu  Cu71  1  0.503771  0.484570  0.672766  1
  Cu  Cu72  1  0.503771  0.100015  0.692806  1
