# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19600138
_cell_length_b   12.66642758
_cell_length_c   50.06913568
_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   'Zr32 Cu16'
_cell_volume   2026.89474446
_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  0.503540  0.678401  0.292040  1
  Zr  Zr2  1  1.003540  0.457569  0.297749  1
  Zr  Zr3  1  1.003540  0.113345  0.318005  1
  Zr  Zr4  1  0.503540  0.898895  0.326063  1
  Zr  Zr5  1  0.503540  0.551241  0.347141  1
  Zr  Zr6  1  1.003540  0.334459  0.352937  1
  Zr  Zr7  1  1.003540  0.988484  0.375822  1
  Zr  Zr8  1  0.503540  0.767708  0.380320  1
  Zr  Zr9  1  0.503540  0.420437  0.403936  1
  Zr  Zr10  1  1.003540  0.200446  0.407284  1
  Zr  Zr11  1  1.003540  0.852886  0.431356  1
  Zr  Zr12  1  0.503540  0.635020  0.436040  1
  Zr  Zr13  1  0.503540  0.287964  0.458571  1
  Zr  Zr14  1  1.003540  0.071842  0.464264  1
  Zr  Zr15  1  1.003540  0.724739  0.486638  1
  Zr  Zr16  1  0.503540  0.508523  0.492497  1
  Zr  Zr17  1  0.503540  0.161433  0.514665  1
  Zr  Zr18  1  1.003540  0.944000  0.519727  1
  Zr  Zr19  1  1.003540  0.596970  0.543411  1
  Zr  Zr20  1  0.503540  0.377753  0.547234  1
  Zr  Zr21  1  0.503540  0.029526  0.570810  1
  Zr  Zr22  1  1.003540  0.810451  0.575208  1
  Zr  Zr23  1  1.003540  0.463830  0.598505  1
  Zr  Zr24  1  0.503540  0.245465  0.602959  1
  Zr  Zr25  1  0.503540  0.898219  0.625751  1
  Zr  Zr26  1  1.003540  0.682839  0.632498  1
  Zr  Zr27  1  1.003540  0.336008  0.653407  1
  Zr  Zr28  1  0.503540  0.120447  0.659244  1
  Zr  Zr29  1  0.503540  0.775515  0.683094  1
  Zr  Zr30  1  1.003540  0.552933  0.686650  1
  Zr  Zr31  1  1.003540  0.211701  0.708784  1
  Zr  Zr32  1  0.503540  0.991412  0.712402  1
  Cu  Cu33  1  1.003540  0.849797  0.285935  1
  Cu  Cu34  1  0.503540  0.287382  0.310652  1
  Cu  Cu35  1  1.003540  0.726423  0.335004  1
  Cu  Cu36  1  0.503540  0.161362  0.361267  1
  Cu  Cu37  1  1.003540  0.593864  0.391370  1
  Cu  Cu38  1  0.503540  0.026251  0.420859  1
  Cu  Cu39  1  1.003540  0.461677  0.448930  1
  Cu  Cu40  1  0.503540  0.898355  0.475590  1
  Cu  Cu41  1  1.003540  0.334804  0.502395  1
  Cu  Cu42  1  0.503540  0.770708  0.530246  1
  Cu  Cu43  1  1.003540  0.203579  0.558738  1
  Cu  Cu44  1  0.503540  0.637361  0.588652  1
  Cu  Cu45  1  1.003540  0.071728  0.615648  1
  Cu  Cu46  1  0.503540  0.508316  0.642890  1
  Cu  Cu47  1  1.003540  0.947018  0.668429  1
  Cu  Cu48  1  0.503540  0.380906  0.696041  1
