# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39799923
_cell_length_b   9.66306185
_cell_length_c   50.80377581
_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   'Zr21 Cu21'
_cell_volume   1668.14587901
_cell_formula_units_Z   21
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  1.005766  0.112264  0.264264  1
  Zr  Zr2  1  1.005766  0.709047  0.303027  1
  Zr  Zr3  1  1.005766  0.412806  0.280768  1
  Zr  Zr4  1  1.005766  1.003285  0.322206  1
  Zr  Zr5  1  1.005766  0.588463  0.364693  1
  Zr  Zr6  1  1.005766  0.296936  0.343984  1
  Zr  Zr7  1  1.005766  0.880451  0.385746  1
  Zr  Zr8  1  1.005766  0.464182  0.427575  1
  Zr  Zr9  1  1.005766  0.172050  0.406678  1
  Zr  Zr10  1  1.005766  0.755851  0.448581  1
  Zr  Zr11  1  1.005766  0.339365  0.490461  1
  Zr  Zr12  1  1.005766  0.047608  0.469521  1
  Zr  Zr13  1  1.005766  0.631035  0.511467  1
  Zr  Zr14  1  1.005766  0.214765  0.553296  1
  Zr  Zr15  1  1.005766  0.923166  0.532365  1
  Zr  Zr16  1  1.005766  0.506754  0.574349  1
  Zr  Zr17  1  1.005766  0.091932  0.616836  1
  Zr  Zr18  1  1.005766  0.798280  0.595058  1
  Zr  Zr19  1  1.005766  0.386169  0.636015  1
  Zr  Zr20  1  1.005766  0.982952  0.674779  1
  Zr  Zr21  1  1.005766  0.682411  0.658275  1
  Cu  Cu22  1  0.505766  0.213817  0.302937  1
  Cu  Cu23  1  0.505766  0.902945  0.280249  1
  Cu  Cu24  1  0.505766  0.623653  0.264899  1
  Cu  Cu25  1  0.505766  0.087966  0.364565  1
  Cu  Cu26  1  0.505766  0.799079  0.343834  1
  Cu  Cu27  1  0.505766  0.502241  0.321990  1
  Cu  Cu28  1  0.505766  0.963932  0.427598  1
  Cu  Cu29  1  0.505766  0.672338  0.406702  1
  Cu  Cu30  1  0.505766  0.380224  0.385879  1
  Cu  Cu31  1  0.505766  0.839287  0.490484  1
  Cu  Cu32  1  0.505766  0.547608  0.469521  1
  Cu  Cu33  1  0.505766  0.255929  0.448558  1
  Cu  Cu34  1  0.505766  0.714992  0.553163  1
  Cu  Cu35  1  0.505766  0.422879  0.532341  1
  Cu  Cu36  1  0.505766  0.131284  0.511444  1
  Cu  Cu37  1  0.505766  0.592976  0.617053  1
  Cu  Cu38  1  0.505766  0.296137  0.595208  1
  Cu  Cu39  1  0.505766  1.007250  0.574478  1
  Cu  Cu40  1  0.505766  0.471564  0.674144  1
  Cu  Cu41  1  0.505766  0.192271  0.658794  1
  Cu  Cu42  1  0.505766  0.881399  0.636105  1
