# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38869700
_cell_length_b   21.17339328
_cell_length_c   46.49991491
_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   'Zr48 Cu24'
_cell_volume   3336.37886042
_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  0.000997  0.307155  0.322799  1
  Zr  Zr2  1  0.000997  0.798464  0.358352  1
  Zr  Zr3  1  0.500997  0.205220  0.353526  1
  Zr  Zr4  1  0.500997  0.714750  0.316486  1
  Zr  Zr5  1  0.500997  0.055112  0.340401  1
  Zr  Zr6  1  0.500997  0.567271  0.306140  1
  Zr  Zr7  1  0.000997  0.966300  0.302526  1
  Zr  Zr8  1  0.000997  0.461698  0.335474  1
  Zr  Zr9  1  0.000997  0.290422  0.394124  1
  Zr  Zr10  1  0.000997  0.775235  0.430158  1
  Zr  Zr11  1  0.500997  0.176458  0.422161  1
  Zr  Zr12  1  0.500997  0.689629  0.386617  1
  Zr  Zr13  1  0.500997  0.031897  0.411259  1
  Zr  Zr14  1  0.500997  0.546145  0.376698  1
  Zr  Zr15  1  0.000997  0.943093  0.367266  1
  Zr  Zr16  1  0.000997  0.433218  0.404423  1
  Zr  Zr17  1  0.000997  0.262858  0.465816  1
  Zr  Zr18  1  0.000997  0.750054  0.502222  1
  Zr  Zr19  1  0.500997  0.151834  0.494265  1
  Zr  Zr20  1  0.500997  0.664792  0.459275  1
  Zr  Zr21  1  0.500997  0.006273  0.483551  1
  Zr  Zr22  1  0.500997  0.519196  0.448465  1
  Zr  Zr23  1  0.000997  0.920450  0.439887  1
  Zr  Zr24  1  0.000997  0.408393  0.476854  1
  Zr  Zr25  1  0.000997  0.236840  0.537970  1
  Zr  Zr26  1  0.000997  0.725093  0.574907  1
  Zr  Zr27  1  0.500997  0.126648  0.566823  1
  Zr  Zr28  1  0.500997  0.639454  0.531583  1
  Zr  Zr29  1  0.500997  0.981551  0.555725  1
  Zr  Zr30  1  0.500997  0.493692  0.520662  1
  Zr  Zr31  1  0.000997  0.895550  0.512469  1
  Zr  Zr32  1  0.000997  0.382459  0.549106  1
  Zr  Zr33  1  0.000997  0.211254  0.610689  1
  Zr  Zr34  1  0.000997  0.703126  0.647507  1
  Zr  Zr35  1  0.500997  0.100483  0.639637  1
  Zr  Zr36  1  0.500997  0.613294  0.603723  1
  Zr  Zr37  1  0.500997  0.955783  0.627628  1
  Zr  Zr38  1  0.500997  0.468957  0.592797  1
  Zr  Zr39  1  0.000997  0.870371  0.584292  1
  Zr  Zr40  1  0.000997  0.355395  0.620793  1
  Zr  Zr41  1  0.000997  0.187627  0.682430  1
  Zr  Zr42  1  0.000997  0.679958  0.712020  1
  Zr  Zr43  1  0.500997  0.073151  0.707846  1
  Zr  Zr44  1  0.500997  0.591347  0.673969  1
  Zr  Zr45  1  0.500997  0.927602  0.698482  1
  Zr  Zr46  1  0.500997  0.439797  0.662246  1
  Zr  Zr47  1  0.000997  0.847373  0.655891  1
  Zr  Zr48  1  0.000997  0.334479  0.691225  1
  Cu  Cu49  1  0.500997  0.875929  0.326117  1
  Cu  Cu50  1  0.500997  0.398473  0.301288  1
  Cu  Cu51  1  0.000997  0.145061  0.317499  1
  Cu  Cu52  1  0.000997  0.629346  0.345259  1
  Cu  Cu53  1  0.500997  0.859983  0.398309  1
  Cu  Cu54  1  0.500997  0.372636  0.361240  1
  Cu  Cu55  1  0.000997  0.116780  0.379545  1
  Cu  Cu56  1  0.000997  0.605367  0.418237  1
  Cu  Cu57  1  0.500997  0.835623  0.471318  1
  Cu  Cu58  1  0.500997  0.348797  0.435788  1
  Cu  Cu59  1  0.000997  0.091389  0.453123  1
  Cu  Cu60  1  0.000997  0.579429  0.490027  1
  Cu  Cu61  1  0.500997  0.809692  0.543290  1
  Cu  Cu62  1  0.500997  0.322670  0.507480  1
  Cu  Cu63  1  0.000997  0.066947  0.525126  1
  Cu  Cu64  1  0.000997  0.554000  0.561790  1
  Cu  Cu65  1  0.500997  0.785755  0.616208  1
  Cu  Cu66  1  0.500997  0.295948  0.579269  1
  Cu  Cu67  1  0.000997  0.041760  0.597395  1
  Cu  Cu68  1  0.000997  0.527665  0.635510  1
  Cu  Cu69  1  0.500997  0.771528  0.688832  1
  Cu  Cu70  1  0.500997  0.271394  0.652096  1
  Cu  Cu71  1  0.000997  0.012274  0.669045  1
  Cu  Cu72  1  0.000997  0.503696  0.697309  1
