# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19638522
_cell_length_b   14.55641795
_cell_length_c   48.38072838
_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   2251.0546209
_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  0.503480  0.471597  0.301551  1
  Zr  Zr2  1  0.003480  0.278732  0.296068  1
  Zr  Zr3  1  0.003480  0.971597  0.301551  1
  Zr  Zr4  1  0.503480  0.778732  0.296068  1
  Zr  Zr5  1  0.503480  0.327265  0.350744  1
  Zr  Zr6  1  1.003480  0.138279  0.346323  1
  Zr  Zr7  1  1.003480  0.827265  0.350744  1
  Zr  Zr8  1  0.503480  0.638279  0.346323  1
  Zr  Zr9  1  0.503480  0.181229  0.402251  1
  Zr  Zr10  1  0.003480  0.992098  0.395396  1
  Zr  Zr11  1  0.003480  0.681229  0.402251  1
  Zr  Zr12  1  0.503480  0.492098  0.395396  1
  Zr  Zr13  1  0.503480  0.031606  0.451712  1
  Zr  Zr14  1  1.003480  0.842668  0.445327  1
  Zr  Zr15  1  0.003480  0.531606  0.451712  1
  Zr  Zr16  1  0.503480  0.342668  0.445327  1
  Zr  Zr17  1  0.503480  0.887000  0.501269  1
  Zr  Zr18  1  0.003480  0.698097  0.496511  1
  Zr  Zr19  1  1.003480  0.387000  0.501269  1
  Zr  Zr20  1  0.503480  0.198097  0.496511  1
  Zr  Zr21  1  0.503480  0.742429  0.552453  1
  Zr  Zr22  1  0.003480  0.553491  0.546068  1
  Zr  Zr23  1  0.003480  0.242429  0.552453  1
  Zr  Zr24  1  0.503480  0.053491  0.546068  1
  Zr  Zr25  1  0.503480  0.592999  0.602384  1
  Zr  Zr26  1  0.003480  0.403868  0.595530  1
  Zr  Zr27  1  0.003480  0.092999  0.602384  1
  Zr  Zr28  1  0.503480  0.903868  0.595530  1
  Zr  Zr29  1  0.503480  0.446818  0.651457  1
  Zr  Zr30  1  0.003480  0.257831  0.647036  1
  Zr  Zr31  1  0.003480  0.946818  0.651457  1
  Zr  Zr32  1  0.503480  0.757831  0.647036  1
  Zr  Zr33  1  0.503480  0.306364  0.701712  1
  Zr  Zr34  1  1.003480  0.113500  0.696229  1
  Zr  Zr35  1  0.003480  0.806364  0.701712  1
  Zr  Zr36  1  0.503480  0.613500  0.696229  1
  Cu  Cu37  1  1.003480  0.625215  0.300928  1
  Cu  Cu38  1  0.503480  0.125215  0.300928  1
  Cu  Cu39  1  0.003480  0.483856  0.347909  1
  Cu  Cu40  1  0.503480  0.983856  0.347909  1
  Cu  Cu41  1  0.003480  0.337465  0.397643  1
  Cu  Cu42  1  0.503480  0.837465  0.397643  1
  Cu  Cu43  1  1.003480  0.186058  0.449917  1
  Cu  Cu44  1  0.503480  0.686058  0.449917  1
  Cu  Cu45  1  0.003480  0.042548  0.498890  1
  Cu  Cu46  1  0.503480  0.542548  0.498890  1
  Cu  Cu47  1  0.003480  0.899039  0.547863  1
  Cu  Cu48  1  0.503480  0.399039  0.547863  1
  Cu  Cu49  1  0.003480  0.747632  0.600137  1
  Cu  Cu50  1  0.503480  0.247632  0.600137  1
  Cu  Cu51  1  0.003480  0.601241  0.649871  1
  Cu  Cu52  1  0.503480  0.101241  0.649871  1
  Cu  Cu53  1  0.003480  0.459882  0.696852  1
  Cu  Cu54  1  0.503480  0.959882  0.696852  1
