# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54448919
_cell_length_b   7.13869541
_cell_length_c   47.53988232
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr20 Cu20'
_cell_volume   1463.13124217
_cell_formula_units_Z   20
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  0.672715  0.330004  0.279623  1
  Zr  Zr2  1  0.902959  0.789772  0.296795  1
  Zr  Zr3  1  0.120064  0.225376  0.321321  1
  Zr  Zr4  1  0.337821  0.665899  0.344401  1
  Zr  Zr5  1  0.555238  0.111602  0.364940  1
  Zr  Zr6  1  0.765244  0.555266  0.390033  1
  Zr  Zr7  1  0.975714  0.996565  0.411683  1
  Zr  Zr8  1  0.185446  0.440410  0.435151  1
  Zr  Zr9  1  0.395671  0.884405  0.458419  1
  Zr  Zr10  1  0.606957  0.326272  0.480004  1
  Zr  Zr11  1  0.815737  0.770500  0.504604  1
  Zr  Zr12  1  0.027142  0.211675  0.526482  1
  Zr  Zr13  1  0.238538  0.654642  0.548837  1
  Zr  Zr14  1  0.449000  0.099415  0.572986  1
  Zr  Zr15  1  0.663229  0.542252  0.594424  1
  Zr  Zr16  1  0.877839  0.985674  0.620262  1
  Zr  Zr17  1  0.095351  0.425011  0.641249  1
  Zr  Zr18  1  0.319193  0.870759  0.661489  1
  Zr  Zr19  1  0.538419  0.308539  0.687723  1
  Zr  Zr20  1  0.763253  0.760706  0.706786  1
  Cu  Cu21  1  0.291506  0.566610  0.289421  1
  Cu  Cu22  1  0.501487  0.984945  0.309241  1
  Cu  Cu23  1  0.739113  0.461311  0.332342  1
  Cu  Cu24  1  0.947525  0.884662  0.353809  1
  Cu  Cu25  1  0.161107  0.330870  0.378488  1
  Cu  Cu26  1  0.372963  0.780246  0.401399  1
  Cu  Cu27  1  0.579055  0.214060  0.422483  1
  Cu  Cu28  1  0.791928  0.666970  0.447330  1
  Cu  Cu29  1  1.000244  0.102374  0.469202  1
  Cu  Cu30  1  0.210765  0.546911  0.492008  1
  Cu  Cu31  1  0.422976  0.995814  0.515483  1
  Cu  Cu32  1  0.630799  0.428542  0.537143  1
  Cu  Cu33  1  0.844489  0.882113  0.562527  1
  Cu  Cu34  1  0.052742  0.317281  0.583941  1
  Cu  Cu35  1  0.266524  0.759800  0.605064  1
  Cu  Cu36  1  0.489741  0.217120  0.629951  1
  Cu  Cu37  1  0.699144  0.634393  0.652547  1
  Cu  Cu38  1  0.934951  0.100416  0.680178  1
  Cu  Cu39  1  0.156899  0.546607  0.696455  1
  Cu  Cu40  1  0.362397  0.961138  0.714876  1
