# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01216732
_cell_length_b   12.24424925
_cell_length_c   50.95523077
_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   'Zr24 Cu24'
_cell_volume   1879.31693166
_cell_formula_units_Z   24
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  0.521712  0.437938  0.276095  1
  Zr  Zr2  1  0.521712  0.205219  0.309440  1
  Zr  Zr3  1  0.521712  0.819390  0.292949  1
  Zr  Zr4  1  0.521712  0.590439  0.327260  1
  Zr  Zr5  1  0.521712  0.359043  0.365420  1
  Zr  Zr6  1  0.521712  0.976102  0.345829  1
  Zr  Zr7  1  0.521712  0.743867  0.383768  1
  Zr  Zr8  1  0.521712  0.513182  0.421039  1
  Zr  Zr9  1  0.521712  0.127936  0.402291  1
  Zr  Zr10  1  0.521712  0.897719  0.439503  1
  Zr  Zr11  1  0.521712  0.666878  0.476637  1
  Zr  Zr12  1  0.521712  0.282155  0.458006  1
  Zr  Zr13  1  0.521712  0.051340  0.495273  1
  Zr  Zr14  1  0.521712  0.820510  0.532361  1
  Zr  Zr15  1  0.521712  0.436023  0.513847  1
  Zr  Zr16  1  0.521712  0.205161  0.550916  1
  Zr  Zr17  1  0.521712  0.974274  0.588181  1
  Zr  Zr18  1  0.521712  0.590045  0.569690  1
  Zr  Zr19  1  0.521712  0.358280  0.606653  1
  Zr  Zr20  1  0.521712  0.127900  0.644642  1
  Zr  Zr21  1  0.521712  0.743046  0.626020  1
  Zr  Zr22  1  0.521712  0.513523  0.661795  1
  Zr  Zr23  1  0.521712  0.278812  0.697358  1
  Zr  Zr24  1  0.521712  0.897976  0.678974  1
  Cu  Cu25  1  1.021712  0.630932  0.281013  1
  Cu  Cu26  1  1.021712  0.395626  0.320159  1
  Cu  Cu27  1  1.021712  0.012397  0.299684  1
  Cu  Cu28  1  1.021712  0.782553  0.337905  1
  Cu  Cu29  1  1.021712  0.551645  0.374341  1
  Cu  Cu30  1  1.021712  0.167402  0.355740  1
  Cu  Cu31  1  1.021712  0.936027  0.392855  1
  Cu  Cu32  1  1.021712  0.705643  0.430040  1
  Cu  Cu33  1  1.021712  0.320728  0.411568  1
  Cu  Cu34  1  1.021712  0.089816  0.448747  1
  Cu  Cu35  1  1.021712  0.859131  0.485950  1
  Cu  Cu36  1  1.021712  0.474387  0.467458  1
  Cu  Cu37  1  1.021712  0.243806  0.504456  1
  Cu  Cu38  1  1.021712  0.012643  0.541868  1
  Cu  Cu39  1  1.021712  0.628279  0.523220  1
  Cu  Cu40  1  1.021712  0.397488  0.560328  1
  Cu  Cu41  1  1.021712  0.166032  0.597415  1
  Cu  Cu42  1  1.021712  0.782118  0.578967  1
  Cu  Cu43  1  1.021712  0.551218  0.615756  1
  Cu  Cu44  1  1.021712  0.322868  0.653051  1
  Cu  Cu45  1  1.021712  0.936343  0.634057  1
  Cu  Cu46  1  1.021712  0.703382  0.672757  1
  Cu  Cu47  1  1.021712  0.464645  0.704726  1
  Cu  Cu48  1  1.021712  0.086487  0.690813  1
