# generated using pymatgen
data_Zr3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28827640
_cell_length_b   9.62023928
_cell_length_c   50.65395363
_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   'Zr36 Cu12'
_cell_volume   2089.69061621
_cell_formula_units_Z   12
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  1.005384  0.865938  0.279141  1
  Zr  Zr2  1  1.005384  0.175397  0.313459  1
  Zr  Zr3  1  1.005384  0.486628  0.292184  1
  Zr  Zr4  1  1.005384  0.873771  0.337666  1
  Zr  Zr5  1  0.505384  0.687924  0.312014  1
  Zr  Zr6  1  0.505384  0.258420  0.276114  1
  Zr  Zr7  1  1.005384  0.574380  0.351013  1
  Zr  Zr8  1  1.005384  0.983626  0.392836  1
  Zr  Zr9  1  1.005384  0.280364  0.371480  1
  Zr  Zr10  1  1.005384  0.678165  0.410418  1
  Zr  Zr11  1  0.505384  0.479886  0.390643  1
  Zr  Zr12  1  0.505384  0.081198  0.353104  1
  Zr  Zr13  1  1.005384  0.378813  0.429712  1
  Zr  Zr14  1  1.005384  0.777695  0.468533  1
  Zr  Zr15  1  1.005384  0.079132  0.449934  1
  Zr  Zr16  1  1.005384  0.477678  0.487763  1
  Zr  Zr17  1  0.505384  0.278714  0.468565  1
  Zr  Zr18  1  0.505384  0.878098  0.430237  1
  Zr  Zr19  1  1.005384  0.178228  0.507442  1
  Zr  Zr20  1  1.005384  0.576682  0.545520  1
  Zr  Zr21  1  1.005384  0.877472  0.526586  1
  Zr  Zr22  1  1.005384  0.276815  0.565132  1
  Zr  Zr23  1  0.505384  0.076809  0.545914  1
  Zr  Zr24  1  0.505384  0.677793  0.507101  1
  Zr  Zr25  1  1.005384  0.977719  0.584720  1
  Zr  Zr26  1  1.005384  0.375025  0.622916  1
  Zr  Zr27  1  1.005384  0.675987  0.603188  1
  Zr  Zr28  1  1.005384  0.074146  0.643362  1
  Zr  Zr29  1  0.505384  0.875648  0.622804  1
  Zr  Zr30  1  0.505384  0.476203  0.584184  1
  Zr  Zr31  1  1.005384  0.772955  0.660979  1
  Zr  Zr32  1  1.005384  0.173753  0.702126  1
  Zr  Zr33  1  1.005384  0.474193  0.681163  1
  Zr  Zr34  1  1.005384  0.875195  0.716731  1
  Zr  Zr35  1  0.505384  0.667279  0.700555  1
  Zr  Zr36  1  0.505384  0.273239  0.661356  1
  Cu  Cu37  1  0.505384  0.380634  0.330536  1
  Cu  Cu38  1  0.505384  0.986067  0.301195  1
  Cu  Cu39  1  0.505384  0.180838  0.410696  1
  Cu  Cu40  1  0.505384  0.776909  0.373059  1
  Cu  Cu41  1  0.505384  0.978034  0.487963  1
  Cu  Cu42  1  0.505384  0.578156  0.449419  1
  Cu  Cu43  1  0.505384  0.776773  0.565032  1
  Cu  Cu44  1  0.505384  0.377287  0.526484  1
  Cu  Cu45  1  0.505384  0.574814  0.642321  1
  Cu  Cu46  1  0.505384  0.175758  0.603669  1
  Cu  Cu47  1  0.505384  0.372291  0.712169  1
  Cu  Cu48  1  0.505384  0.970824  0.680111  1
