# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38135936
_cell_length_b   14.53871393
_cell_length_c   48.79309804
_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   'Zr36 Cu18'
_cell_volume   2398.69877502
_cell_formula_units_Z   18
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  0.002084  0.874416  0.302476  1
  Zr  Zr2  1  0.502084  0.687073  0.298441  1
  Zr  Zr3  1  0.502084  0.374416  0.302476  1
  Zr  Zr4  1  0.002084  0.187073  0.298441  1
  Zr  Zr5  1  0.002084  0.713420  0.351747  1
  Zr  Zr6  1  0.502084  0.528819  0.345735  1
  Zr  Zr7  1  0.502084  0.213420  0.351747  1
  Zr  Zr8  1  0.002084  0.028819  0.345735  1
  Zr  Zr9  1  0.002084  0.551929  0.401748  1
  Zr  Zr10  1  0.502084  0.367771  0.396333  1
  Zr  Zr11  1  0.502084  0.051929  0.401748  1
  Zr  Zr12  1  0.002084  0.867771  0.396333  1
  Zr  Zr13  1  0.002084  0.390251  0.451935  1
  Zr  Zr14  1  0.502084  0.205910  0.446548  1
  Zr  Zr15  1  0.502084  0.890251  0.451935  1
  Zr  Zr16  1  0.002084  0.705910  0.446548  1
  Zr  Zr17  1  0.002084  0.228549  0.502098  1
  Zr  Zr18  1  0.502084  0.044172  0.496688  1
  Zr  Zr19  1  0.502084  0.728549  0.502098  1
  Zr  Zr20  1  0.002084  0.544172  0.496688  1
  Zr  Zr21  1  0.002084  0.066810  0.552239  1
  Zr  Zr22  1  0.502084  0.882470  0.546851  1
  Zr  Zr23  1  0.502084  0.566810  0.552239  1
  Zr  Zr24  1  0.002084  0.382470  0.546851  1
  Zr  Zr25  1  0.002084  0.904949  0.602454  1
  Zr  Zr26  1  0.502084  0.720791  0.597039  1
  Zr  Zr27  1  0.502084  0.404949  0.602454  1
  Zr  Zr28  1  0.002084  0.220791  0.597039  1
  Zr  Zr29  1  0.002084  0.743901  0.653052  1
  Zr  Zr30  1  0.502084  0.559301  0.647039  1
  Zr  Zr31  1  0.502084  0.243901  0.653052  1
  Zr  Zr32  1  0.002084  0.059301  0.647039  1
  Zr  Zr33  1  0.002084  0.585647  0.700345  1
  Zr  Zr34  1  0.502084  0.398304  0.696311  1
  Zr  Zr35  1  0.502084  0.085647  0.700345  1
  Zr  Zr36  1  0.002084  0.898304  0.696311  1
  Cu  Cu37  1  0.502084  0.033107  0.299255  1
  Cu  Cu38  1  0.002084  0.533107  0.299255  1
  Cu  Cu39  1  0.502084  0.871712  0.348776  1
  Cu  Cu40  1  0.002084  0.371712  0.348776  1
  Cu  Cu41  1  0.502084  0.709884  0.399227  1
  Cu  Cu42  1  0.002084  0.209884  0.399227  1
  Cu  Cu43  1  0.502084  0.548093  0.449236  1
  Cu  Cu44  1  0.002084  0.048093  0.449236  1
  Cu  Cu45  1  0.502084  0.386360  0.499393  1
  Cu  Cu46  1  0.002084  0.886360  0.499393  1
  Cu  Cu47  1  0.502084  0.224627  0.549551  1
  Cu  Cu48  1  0.002084  0.724627  0.549551  1
  Cu  Cu49  1  0.502084  0.062836  0.599559  1
  Cu  Cu50  1  0.002084  0.562836  0.599559  1
  Cu  Cu51  1  0.502084  0.901008  0.650011  1
  Cu  Cu52  1  0.002084  0.401008  0.650011  1
  Cu  Cu53  1  0.502084  0.739614  0.699532  1
  Cu  Cu54  1  0.002084  0.239614  0.699532  1
