# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38275237
_cell_length_b   10.97827679
_cell_length_c   48.29371048
_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   'Zr28 Cu14'
_cell_volume   1793.473472
_cell_formula_units_Z   14
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  0.001877  0.391478  0.325290  1
  Zr  Zr2  1  0.501877  0.249675  0.282979  1
  Zr  Zr3  1  0.501877  0.891478  0.325290  1
  Zr  Zr4  1  0.001877  0.749675  0.282979  1
  Zr  Zr5  1  0.001877  0.298130  0.391394  1
  Zr  Zr6  1  0.501877  0.160113  0.343075  1
  Zr  Zr7  1  0.501877  0.798130  0.391394  1
  Zr  Zr8  1  0.001877  0.660113  0.343075  1
  Zr  Zr9  1  0.001877  0.204096  0.458133  1
  Zr  Zr10  1  0.501877  0.068577  0.410818  1
  Zr  Zr11  1  0.501877  0.704096  0.458133  1
  Zr  Zr12  1  0.001877  0.568577  0.410818  1
  Zr  Zr13  1  0.001877  0.109412  0.525249  1
  Zr  Zr14  1  0.501877  0.974598  0.478184  1
  Zr  Zr15  1  0.501877  0.609412  0.525249  1
  Zr  Zr16  1  0.001877  0.474598  0.478184  1
  Zr  Zr17  1  0.001877  0.015433  0.592615  1
  Zr  Zr18  1  0.501877  0.879915  0.545299  1
  Zr  Zr19  1  0.501877  0.515433  0.592615  1
  Zr  Zr20  1  0.001877  0.379915  0.545299  1
  Zr  Zr21  1  0.001877  0.923898  0.660358  1
  Zr  Zr22  1  0.501877  0.785881  0.612039  1
  Zr  Zr23  1  0.501877  0.423898  0.660358  1
  Zr  Zr24  1  0.001877  0.285881  0.612039  1
  Zr  Zr25  1  0.001877  0.834336  0.720454  1
  Zr  Zr26  1  0.501877  0.692533  0.678143  1
  Zr  Zr27  1  0.501877  0.334336  0.720454  1
  Zr  Zr28  1  0.001877  0.192533  0.678143  1
  Cu  Cu29  1  0.501877  0.560040  0.299384  1
  Cu  Cu30  1  0.001877  0.060040  0.299384  1
  Cu  Cu31  1  0.501877  0.482174  0.367294  1
  Cu  Cu32  1  0.001877  0.982174  0.367294  1
  Cu  Cu33  1  0.501877  0.387362  0.434839  1
  Cu  Cu34  1  0.001877  0.887362  0.434839  1
  Cu  Cu35  1  0.501877  0.292005  0.501716  1
  Cu  Cu36  1  0.001877  0.792005  0.501716  1
  Cu  Cu37  1  0.501877  0.196648  0.568594  1
  Cu  Cu38  1  0.001877  0.696648  0.568594  1
  Cu  Cu39  1  0.501877  0.101837  0.636139  1
  Cu  Cu40  1  0.001877  0.601837  0.636139  1
  Cu  Cu41  1  0.501877  0.023971  0.704049  1
  Cu  Cu42  1  0.001877  0.523971  0.704049  1
