# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.40253654
_cell_length_b   6.97161043
_cell_length_c   49.44817026
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr16 Cu16'
_cell_volume   1172.96792114
_cell_formula_units_Z   16
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  1.005091  0.215091  0.301976  1
  Zr  Zr2  1  1.005091  0.807684  0.267548  1
  Zr  Zr3  1  1.005091  0.995561  0.354694  1
  Zr  Zr4  1  1.005091  0.604670  0.327812  1
  Zr  Zr5  1  1.005091  0.790637  0.416837  1
  Zr  Zr6  1  1.005091  0.400871  0.390545  1
  Zr  Zr7  1  1.005091  0.585371  0.479077  1
  Zr  Zr8  1  1.005091  0.180870  0.442999  1
  Zr  Zr9  1  1.005091  0.365561  0.531483  1
  Zr  Zr10  1  1.005091  0.975457  0.505259  1
  Zr  Zr11  1  1.005091  0.160425  0.593598  1
  Zr  Zr12  1  1.005091  0.770008  0.567561  1
  Zr  Zr13  1  1.005091  0.956207  0.656017  1
  Zr  Zr14  1  1.005091  0.549601  0.620188  1
  Zr  Zr15  1  1.005091  0.739690  0.707382  1
  Zr  Zr16  1  1.005091  0.347925  0.682117  1
  Cu  Cu17  1  0.505091  0.505318  0.283369  1
  Cu  Cu18  1  0.505091  0.119766  0.261653  1
  Cu  Cu19  1  0.505091  0.312263  0.347681  1
  Cu  Cu20  1  0.505091  0.900375  0.309119  1
  Cu  Cu21  1  0.505091  0.084887  0.397494  1
  Cu  Cu22  1  0.505091  0.697870  0.372616  1
  Cu  Cu23  1  0.505091  0.883105  0.461054  1
  Cu  Cu24  1  0.505091  0.496601  0.436122  1
  Cu  Cu25  1  0.505091  0.681384  0.524659  1
  Cu  Cu26  1  0.505091  0.269561  0.485896  1
  Cu  Cu27  1  0.505091  0.454795  0.574429  1
  Cu  Cu28  1  0.505091  0.067699  0.549458  1
  Cu  Cu29  1  0.505091  0.251496  0.638232  1
  Cu  Cu30  1  0.505091  0.865667  0.612921  1
  Cu  Cu31  1  0.505091  0.051895  0.700466  1
  Cu  Cu32  1  0.505091  0.640852  0.663093  1
