# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.40383360
_cell_length_b   4.74813477
_cell_length_c   48.36583627
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr36 Cu18'
_cell_volume   2389.21447187
_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  0.156047  1.005661  0.297754  1
  Zr  Zr2  1  0.352876  0.505661  0.297754  1
  Zr  Zr3  1  0.656047  0.505661  0.297754  1
  Zr  Zr4  1  0.852876  1.005661  0.297754  1
  Zr  Zr5  1  0.151997  0.505661  0.345748  1
  Zr  Zr6  1  0.356926  1.005661  0.345748  1
  Zr  Zr7  1  0.651997  1.005661  0.345748  1
  Zr  Zr8  1  0.856926  0.505661  0.345748  1
  Zr  Zr9  1  0.154262  1.005661  0.395985  1
  Zr  Zr10  1  0.354661  0.505661  0.395985  1
  Zr  Zr11  1  0.654262  0.505661  0.395985  1
  Zr  Zr12  1  0.854661  1.005661  0.395985  1
  Zr  Zr13  1  0.154106  0.505661  0.446318  1
  Zr  Zr14  1  0.354817  1.005661  0.446318  1
  Zr  Zr15  1  0.654106  1.005661  0.446318  1
  Zr  Zr16  1  0.854817  0.505661  0.446318  1
  Zr  Zr17  1  0.153861  1.005661  0.496414  1
  Zr  Zr18  1  0.355062  0.505661  0.496414  1
  Zr  Zr19  1  0.653861  0.505661  0.496414  1
  Zr  Zr20  1  0.855062  1.005661  0.496414  1
  Zr  Zr21  1  0.154106  0.505661  0.546510  1
  Zr  Zr22  1  0.354817  1.005661  0.546510  1
  Zr  Zr23  1  0.654106  1.005661  0.546510  1
  Zr  Zr24  1  0.854817  0.505661  0.546510  1
  Zr  Zr25  1  0.154262  1.005661  0.596843  1
  Zr  Zr26  1  0.354661  0.505661  0.596843  1
  Zr  Zr27  1  0.654262  0.505661  0.596843  1
  Zr  Zr28  1  0.854661  1.005661  0.596843  1
  Zr  Zr29  1  0.151997  0.505661  0.647080  1
  Zr  Zr30  1  0.356926  1.005661  0.647080  1
  Zr  Zr31  1  0.651997  1.005661  0.647080  1
  Zr  Zr32  1  0.856926  0.505661  0.647080  1
  Zr  Zr33  1  0.156047  1.005661  0.695074  1
  Zr  Zr34  1  0.352876  0.505661  0.695074  1
  Zr  Zr35  1  0.656047  0.505661  0.695074  1
  Zr  Zr36  1  0.852876  1.005661  0.695074  1
  Cu  Cu37  1  1.004462  0.505661  0.295560  1
  Cu  Cu38  1  0.504462  1.005661  0.295560  1
  Cu  Cu39  1  1.004462  1.005661  0.346063  1
  Cu  Cu40  1  0.504462  0.505661  0.346063  1
  Cu  Cu41  1  1.004462  0.505661  0.396396  1
  Cu  Cu42  1  0.504462  1.005661  0.396396  1
  Cu  Cu43  1  0.004462  1.005661  0.446133  1
  Cu  Cu44  1  0.504462  0.505661  0.446133  1
  Cu  Cu45  1  1.004462  0.505661  0.496414  1
  Cu  Cu46  1  0.504462  1.005661  0.496414  1
  Cu  Cu47  1  1.004462  1.005661  0.546695  1
  Cu  Cu48  1  0.504462  0.505661  0.546695  1
  Cu  Cu49  1  1.004462  0.505661  0.596432  1
  Cu  Cu50  1  0.504462  1.005661  0.596432  1
  Cu  Cu51  1  1.004462  1.005661  0.646765  1
  Cu  Cu52  1  0.504462  0.505661  0.646765  1
  Cu  Cu53  1  0.004462  0.505661  0.697268  1
  Cu  Cu54  1  0.504462  1.005661  0.697268  1
