# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00118872
_cell_length_b   4.62956034
_cell_length_c   48.05332577
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.43503952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr20 Cu20'
_cell_volume   1484.90588364
_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  0.429889  0.255519  0.310041  1
  Zr  Zr2  1  0.984696  0.452444  0.289613  1
  Zr  Zr3  1  0.310781  0.847571  0.355383  1
  Zr  Zr4  1  0.870728  0.049480  0.333687  1
  Zr  Zr5  1  0.189736  0.444961  0.401774  1
  Zr  Zr6  1  0.748011  0.646175  0.377557  1
  Zr  Zr7  1  0.068974  0.044687  0.447204  1
  Zr  Zr8  1  0.629379  0.243722  0.423942  1
  Zr  Zr9  1  0.947931  0.643700  0.492230  1
  Zr  Zr10  1  0.508698  0.843815  0.469779  1
  Zr  Zr11  1  0.827268  0.243153  0.537858  1
  Zr  Zr12  1  0.387946  0.443341  0.515444  1
  Zr  Zr13  1  0.706600  0.842807  0.583590  1
  Zr  Zr14  1  0.266949  0.042640  0.560698  1
  Zr  Zr15  1  0.586909  0.442475  0.629979  1
  Zr  Zr16  1  0.146070  0.641767  0.605697  1
  Zr  Zr17  1  0.465500  0.042997  0.675065  1
  Zr  Zr18  1  0.027633  0.240128  0.651994  1
  Zr  Zr19  1  0.352062  0.629317  0.716947  1
  Zr  Zr20  1  0.905380  0.838163  0.697463  1
  Cu  Cu21  1  0.205612  0.849540  0.298688  1
  Cu  Cu22  1  0.779716  0.037945  0.279785  1
  Cu  Cu23  1  0.095859  0.445891  0.344882  1
  Cu  Cu24  1  0.639903  0.660966  0.317976  1
  Cu  Cu25  1  0.971096  0.044562  0.390700  1
  Cu  Cu26  1  0.526077  0.248407  0.367289  1
  Cu  Cu27  1  0.847364  0.645433  0.435034  1
  Cu  Cu28  1  0.409891  0.844157  0.412764  1
  Cu  Cu29  1  0.727115  0.244239  0.480938  1
  Cu  Cu30  1  0.290442  0.443163  0.458472  1
  Cu  Cu31  1  0.608227  0.843053  0.526674  1
  Cu  Cu32  1  0.168247  0.043311  0.503913  1
  Cu  Cu33  1  0.488904  0.441535  0.572589  1
  Cu  Cu34  1  0.045720  0.643803  0.549103  1
  Cu  Cu35  1  0.366969  0.041742  0.617412  1
  Cu  Cu36  1  0.924754  0.243409  0.594885  1
  Cu  Cu37  1  0.240374  0.644455  0.662421  1
  Cu  Cu38  1  0.807993  0.840893  0.640508  1
  Cu  Cu39  1  0.119289  0.244446  0.708258  1
  Cu  Cu40  1  0.698304  0.436865  0.686764  1
