# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20491084
_cell_length_b   10.84407034
_cell_length_c   48.66805768
_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   'Zr28 Cu14'
_cell_volume   1691.42323408
_cell_formula_units_Z   14
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  0.502140  0.355006  0.311687  1
  Zr  Zr2  1  1.002140  0.147417  0.279845  1
  Zr  Zr3  1  1.002140  0.861944  0.279845  1
  Zr  Zr4  1  0.502140  0.654354  0.311687  1
  Zr  Zr5  1  0.502140  0.361633  0.379068  1
  Zr  Zr6  1  1.002140  0.154472  0.345581  1
  Zr  Zr7  1  1.002140  0.854888  0.345581  1
  Zr  Zr8  1  0.502140  0.647728  0.379068  1
  Zr  Zr9  1  0.502140  0.353705  0.445920  1
  Zr  Zr10  1  1.002140  0.151165  0.411787  1
  Zr  Zr11  1  1.002140  0.858195  0.411787  1
  Zr  Zr12  1  0.502140  0.655655  0.445920  1
  Zr  Zr13  1  0.502140  0.359951  0.512379  1
  Zr  Zr14  1  1.002140  0.149409  0.479637  1
  Zr  Zr15  1  1.002140  0.859951  0.479637  1
  Zr  Zr16  1  0.502140  0.649409  0.512379  1
  Zr  Zr17  1  0.502140  0.358195  0.580228  1
  Zr  Zr18  1  1.002140  0.155655  0.546095  1
  Zr  Zr19  1  1.002140  0.853705  0.546095  1
  Zr  Zr20  1  0.502140  0.651165  0.580228  1
  Zr  Zr21  1  0.502140  0.354888  0.646434  1
  Zr  Zr22  1  1.002140  0.147728  0.612947  1
  Zr  Zr23  1  1.002140  0.861633  0.612947  1
  Zr  Zr24  1  0.502140  0.654472  0.646434  1
  Zr  Zr25  1  0.502140  0.361944  0.712170  1
  Zr  Zr26  1  1.002140  0.154354  0.680328  1
  Zr  Zr27  1  1.002140  0.855006  0.680328  1
  Zr  Zr28  1  0.502140  0.647417  0.712170  1
  Cu  Cu29  1  1.002140  0.504680  0.282923  1
  Cu  Cu30  1  0.502140  0.004680  0.314027  1
  Cu  Cu31  1  1.002140  0.504680  0.343170  1
  Cu  Cu32  1  0.502140  0.004680  0.377790  1
  Cu  Cu33  1  1.002140  0.504680  0.414419  1
  Cu  Cu34  1  0.502140  0.004680  0.445248  1
  Cu  Cu35  1  1.002140  0.504680  0.477638  1
  Cu  Cu36  1  0.502140  0.004680  0.514377  1
  Cu  Cu37  1  1.002140  0.504680  0.546767  1
  Cu  Cu38  1  0.502140  0.004680  0.577596  1
  Cu  Cu39  1  1.002140  0.504680  0.614225  1
  Cu  Cu40  1  0.502140  0.004680  0.648846  1
  Cu  Cu41  1  1.002140  0.504680  0.677989  1
  Cu  Cu42  1  0.502140  0.004680  0.709092  1
