# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38736004
_cell_length_b   23.24074605
_cell_length_c   48.53073321
_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   'Zr56 Cu28'
_cell_volume   3820.57103114
_cell_formula_units_Z   28
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  0.001195  0.589868  0.329372  1
  Zr  Zr2  1  0.001195  0.122575  0.300746  1
  Zr  Zr3  1  0.501195  0.482908  0.345710  1
  Zr  Zr4  1  0.501195  0.009394  0.310012  1
  Zr  Zr5  1  0.501195  0.358962  0.314590  1
  Zr  Zr6  1  0.501195  0.883607  0.286744  1
  Zr  Zr7  1  0.001195  0.245723  0.325686  1
  Zr  Zr8  1  0.001195  0.770589  0.298038  1
  Zr  Zr9  1  0.001195  0.532113  0.393684  1
  Zr  Zr10  1  0.001195  0.062491  0.360167  1
  Zr  Zr11  1  0.501195  0.416860  0.404668  1
  Zr  Zr12  1  0.501195  0.949406  0.373616  1
  Zr  Zr13  1  0.501195  0.297720  0.375661  1
  Zr  Zr14  1  0.501195  0.827416  0.345469  1
  Zr  Zr15  1  0.001195  0.183896  0.388739  1
  Zr  Zr16  1  0.001195  0.713129  0.357387  1
  Zr  Zr17  1  0.001195  0.467636  0.455592  1
  Zr  Zr18  1  0.001195  0.999437  0.423851  1
  Zr  Zr19  1  0.501195  0.354007  0.467420  1
  Zr  Zr20  1  0.501195  0.885840  0.436428  1
  Zr  Zr21  1  0.501195  0.233320  0.439233  1
  Zr  Zr22  1  0.501195  0.765130  0.408343  1
  Zr  Zr23  1  0.001195  0.120035  0.451766  1
  Zr  Zr24  1  0.001195  0.652010  0.420289  1
  Zr  Zr25  1  0.001195  0.403715  0.518392  1
  Zr  Zr26  1  0.001195  0.935993  0.487137  1
  Zr  Zr27  1  0.501195  0.290713  0.530645  1
  Zr  Zr28  1  0.501195  0.822673  0.499557  1
  Zr  Zr29  1  0.501195  0.169923  0.502516  1
  Zr  Zr30  1  0.501195  0.701786  0.471237  1
  Zr  Zr31  1  0.001195  0.056763  0.514982  1
  Zr  Zr32  1  0.001195  0.588701  0.483797  1
  Zr  Zr33  1  0.001195  0.340669  0.581866  1
  Zr  Zr34  1  0.001195  0.872749  0.550450  1
  Zr  Zr35  1  0.501195  0.227480  0.593718  1
  Zr  Zr36  1  0.501195  0.759105  0.562452  1
  Zr  Zr37  1  0.501195  0.106830  0.565704  1
  Zr  Zr38  1  0.501195  0.637916  0.534376  1
  Zr  Zr39  1  0.001195  0.993503  0.578322  1
  Zr  Zr40  1  0.001195  0.524697  0.546770  1
  Zr  Zr41  1  0.001195  0.279317  0.644749  1
  Zr  Zr42  1  0.001195  0.810110  0.613279  1
  Zr  Zr43  1  0.501195  0.164963  0.656655  1
  Zr  Zr44  1  0.501195  0.693978  0.624583  1
  Zr  Zr45  1  0.501195  0.043046  0.628650  1
  Zr  Zr46  1  0.501195  0.575041  0.597802  1
  Zr  Zr47  1  0.001195  0.930140  0.642160  1
  Zr  Zr48  1  0.001195  0.460505  0.609015  1
  Zr  Zr49  1  0.001195  0.221890  0.704043  1
  Zr  Zr50  1  0.001195  0.745981  0.671889  1
  Zr  Zr51  1  0.501195  0.108904  0.715456  1
  Zr  Zr52  1  0.501195  0.639986  0.688326  1
  Zr  Zr53  1  0.501195  0.982624  0.692253  1
  Zr  Zr54  1  0.501195  0.511218  0.657433  1
  Zr  Zr55  1  0.001195  0.869172  0.703406  1
  Zr  Zr56  1  0.001195  0.402434  0.672638  1
  Cu  Cu57  1  0.501195  0.155915  0.343828  1
  Cu  Cu58  1  0.501195  0.681146  0.313158  1
  Cu  Cu59  1  0.001195  0.451945  0.305716  1
  Cu  Cu60  1  0.001195  0.921099  0.329020  1
  Cu  Cu61  1  0.501195  0.091226  0.405951  1
  Cu  Cu62  1  0.501195  0.622266  0.373672  1
  Cu  Cu63  1  0.001195  0.390512  0.357877  1
  Cu  Cu64  1  0.001195  0.857078  0.390571  1
  Cu  Cu65  1  0.501195  0.027970  0.469392  1
  Cu  Cu66  1  0.501195  0.560492  0.438737  1
  Cu  Cu67  1  0.001195  0.324556  0.421871  1
  Cu  Cu68  1  0.001195  0.793952  0.454012  1
  Cu  Cu69  1  0.501195  0.964821  0.532765  1
  Cu  Cu70  1  0.501195  0.496305  0.501180  1
  Cu  Cu71  1  0.001195  0.261899  0.484892  1
  Cu  Cu72  1  0.001195  0.730142  0.516842  1
  Cu  Cu73  1  0.501195  0.902312  0.596066  1
  Cu  Cu74  1  0.501195  0.432119  0.563627  1
  Cu  Cu75  1  0.001195  0.198661  0.548047  1
  Cu  Cu76  1  0.001195  0.666665  0.579294  1
  Cu  Cu77  1  0.501195  0.838049  0.660033  1
  Cu  Cu78  1  0.501195  0.370114  0.628518  1
  Cu  Cu79  1  0.001195  0.135433  0.611529  1
  Cu  Cu80  1  0.001195  0.603813  0.644977  1
  Cu  Cu81  1  0.501195  0.775602  0.712069  1
  Cu  Cu82  1  0.501195  0.311507  0.688945  1
  Cu  Cu83  1  0.001195  0.071238  0.673262  1
  Cu  Cu84  1  0.001195  0.547676  0.696621  1
