# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19344712
_cell_length_b   23.84437289
_cell_length_c   47.28494985
_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   3600.54768463
_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  0.503943  0.404319  0.312859  1
  Zr  Zr2  1  0.503943  0.931781  0.285727  1
  Zr  Zr3  1  0.003943  0.293329  0.328115  1
  Zr  Zr4  1  0.003943  0.816023  0.296189  1
  Zr  Zr5  1  0.003943  0.639639  0.328267  1
  Zr  Zr6  1  0.003943  0.169832  0.298899  1
  Zr  Zr7  1  0.503943  0.528742  0.343347  1
  Zr  Zr8  1  0.503943  0.053144  0.309944  1
  Zr  Zr9  1  0.503943  0.352403  0.377700  1
  Zr  Zr10  1  0.503943  0.876333  0.345470  1
  Zr  Zr11  1  0.003943  0.237215  0.389222  1
  Zr  Zr12  1  0.003943  0.763968  0.358292  1
  Zr  Zr13  1  0.003943  0.587627  0.393169  1
  Zr  Zr14  1  0.003943  0.114640  0.360326  1
  Zr  Zr15  1  0.503943  0.472018  0.404475  1
  Zr  Zr16  1  0.503943  0.002086  0.373893  1
  Zr  Zr17  1  0.503943  0.294361  0.440430  1
  Zr  Zr18  1  0.503943  0.823698  0.408930  1
  Zr  Zr19  1  0.003943  0.180323  0.451623  1
  Zr  Zr20  1  0.003943  0.707805  0.419494  1
  Zr  Zr21  1  0.003943  0.530435  0.455532  1
  Zr  Zr22  1  0.003943  0.059716  0.424540  1
  Zr  Zr23  1  0.503943  0.417434  0.468125  1
  Zr  Zr24  1  0.503943  0.944740  0.435754  1
  Zr  Zr25  1  0.503943  0.239615  0.502388  1
  Zr  Zr26  1  0.503943  0.766600  0.470492  1
  Zr  Zr27  1  0.003943  0.126952  0.515072  1
  Zr  Zr28  1  0.003943  0.654243  0.483646  1
  Zr  Zr29  1  0.003943  0.476411  0.518218  1
  Zr  Zr30  1  0.003943  0.002995  0.486580  1
  Zr  Zr31  1  0.503943  0.363231  0.530833  1
  Zr  Zr32  1  0.503943  0.890930  0.499397  1
  Zr  Zr33  1  0.503943  0.185047  0.565824  1
  Zr  Zr34  1  0.503943  0.713704  0.534195  1
  Zr  Zr35  1  0.003943  0.069697  0.577140  1
  Zr  Zr36  1  1.003943  0.599799  0.545734  1
  Zr  Zr37  1  0.003943  0.422290  0.581982  1
  Zr  Zr38  1  0.003943  0.949243  0.550371  1
  Zr  Zr39  1  0.503943  0.307019  0.592677  1
  Zr  Zr40  1  0.503943  0.834184  0.561220  1
  Zr  Zr41  1  0.503943  0.129207  0.627472  1
  Zr  Zr42  1  0.503943  0.657082  0.596870  1
  Zr  Zr43  1  0.003943  0.017214  0.641103  1
  Zr  Zr44  1  1.003943  0.542160  0.608469  1
  Zr  Zr45  1  0.003943  0.366193  0.643350  1
  Zr  Zr46  1  0.003943  0.891563  0.612055  1
  Zr  Zr47  1  0.503943  0.254001  0.656094  1
  Zr  Zr48  1  0.503943  0.779114  0.625550  1
  Zr  Zr49  1  0.503943  0.077401  0.691676  1
  Zr  Zr50  1  0.503943  0.601010  0.658033  1
  Zr  Zr51  1  0.003943  0.960482  0.700552  1
  Zr  Zr52  1  0.003943  0.490357  0.673354  1
  Zr  Zr53  1  0.003943  0.314167  0.705447  1
  Zr  Zr54  1  0.003943  0.840025  0.675950  1
  Zr  Zr55  1  0.503943  0.198579  0.715886  1
  Zr  Zr56  1  0.503943  0.723963  0.687374  1
  Cu  Cu57  1  0.003943  0.493981  0.302429  1
  Cu  Cu58  1  0.003943  0.965909  0.330574  1
  Cu  Cu59  1  0.503943  0.258713  0.287168  1
  Cu  Cu60  1  0.503943  0.729589  0.315091  1
  Cu  Cu61  1  0.003943  0.439929  0.356931  1
  Cu  Cu62  1  1.003943  0.912571  0.389641  1
  Cu  Cu63  1  0.503943  0.204625  0.342949  1
  Cu  Cu64  1  0.503943  0.674824  0.372480  1
  Cu  Cu65  1  0.003943  0.383239  0.423765  1
  Cu  Cu66  1  0.003943  0.856237  0.454995  1
  Cu  Cu67  1  0.503943  0.147971  0.405515  1
  Cu  Cu68  1  0.503943  0.619588  0.439305  1
  Cu  Cu69  1  0.003943  0.328828  0.485777  1
  Cu  Cu70  1  0.003943  0.801811  0.514944  1
  Cu  Cu71  1  0.503943  0.091983  0.470620  1
  Cu  Cu72  1  0.503943  0.565073  0.500525  1
  Cu  Cu73  1  0.003943  0.273607  0.547080  1
  Cu  Cu74  1  0.003943  0.746081  0.580265  1
  Cu  Cu75  1  0.503943  0.037743  0.530972  1
  Cu  Cu76  1  0.503943  0.510915  0.562513  1
  Cu  Cu77  1  0.003943  0.218621  0.611628  1
  Cu  Cu78  1  1.003943  0.689565  0.643279  1
  Cu  Cu79  1  0.503943  0.981188  0.596835  1
  Cu  Cu80  1  0.503943  0.455018  0.629055  1
  Cu  Cu81  1  1.003943  0.164468  0.671022  1
  Cu  Cu82  1  0.003943  0.635133  0.699093  1
  Cu  Cu83  1  0.503943  0.927292  0.655433  1
  Cu  Cu84  1  0.503943  0.400529  0.686573  1
