# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85323138
_cell_length_b   7.12834182
_cell_length_c   49.02543030
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   128.34632082
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr32 Cu32'
_cell_volume   2426.49916824
_cell_formula_units_Z   32
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  0.879635  0.254710  0.322579  1
  Zr  Zr2  1  0.381411  0.258307  0.323550  1
  Zr  Zr3  1  0.278380  0.559809  0.298693  1
  Zr  Zr4  1  0.785937  0.559865  0.298700  1
  Zr  Zr5  1  0.063700  0.623015  0.377760  1
  Zr  Zr6  1  0.563934  0.623466  0.377771  1
  Zr  Zr7  1  0.457902  0.908204  0.352103  1
  Zr  Zr8  1  0.954688  0.908187  0.352102  1
  Zr  Zr9  1  0.242643  0.981020  0.434540  1
  Zr  Zr10  1  0.742661  0.981058  0.434344  1
  Zr  Zr11  1  0.636613  0.269550  0.408773  1
  Zr  Zr12  1  0.137220  0.269553  0.408773  1
  Zr  Zr13  1  0.423041  0.341938  0.490660  1
  Zr  Zr14  1  0.923040  0.341933  0.490697  1
  Zr  Zr15  1  0.816398  0.628696  0.465409  1
  Zr  Zr16  1  0.316454  0.628699  0.465408  1
  Zr  Zr17  1  0.603475  0.702926  0.546821  1
  Zr  Zr18  1  0.103366  0.702710  0.546887  1
  Zr  Zr19  1  0.996873  0.989659  0.521567  1
  Zr  Zr20  1  0.496819  0.989657  0.521567  1
  Zr  Zr21  1  0.783543  0.063184  0.603407  1
  Zr  Zr22  1  0.283000  0.062099  0.602951  1
  Zr  Zr23  1  0.177277  0.350576  0.577797  1
  Zr  Zr24  1  0.677215  0.350576  0.577797  1
  Zr  Zr25  1  0.961442  0.419083  0.660322  1
  Zr  Zr26  1  0.462429  0.421077  0.659620  1
  Zr  Zr27  1  0.355917  0.710141  0.634589  1
  Zr  Zr28  1  0.858025  0.710139  0.634589  1
  Zr  Zr29  1  0.128872  0.754049  0.712074  1
  Zr  Zr30  1  0.630409  0.757067  0.713222  1
  Zr  Zr31  1  0.540851  0.070822  0.690075  1
  Zr  Zr32  1  0.033642  0.070827  0.690075  1
  Cu  Cu33  1  0.140068  0.775671  0.319940  1
  Cu  Cu34  1  0.469153  0.433596  0.273710  1
  Cu  Cu35  1  0.523451  0.054305  0.297608  1
  Cu  Cu36  1  0.035496  0.054304  0.297605  1
  Cu  Cu37  1  0.315651  0.126942  0.378083  1
  Cu  Cu38  1  0.636624  0.768874  0.317987  1
  Cu  Cu39  1  0.702025  0.397429  0.353577  1
  Cu  Cu40  1  0.199859  0.397442  0.353576  1
  Cu  Cu41  1  0.497211  0.490202  0.433437  1
  Cu  Cu42  1  0.817343  0.130319  0.377958  1
  Cu  Cu43  1  0.882710  0.760722  0.409984  1
  Cu  Cu44  1  0.382334  0.760721  0.409982  1
  Cu  Cu45  1  0.677593  0.851088  0.489728  1
  Cu  Cu46  1  0.997116  0.490008  0.433410  1
  Cu  Cu47  1  0.062119  0.120375  0.466020  1
  Cu  Cu48  1  0.562454  0.120374  0.466021  1
  Cu  Cu49  1  0.857585  0.211192  0.546226  1
  Cu  Cu50  1  0.177419  0.850741  0.489772  1
  Cu  Cu51  1  0.242391  0.480682  0.522473  1
  Cu  Cu52  1  0.742370  0.480679  0.522474  1
  Cu  Cu53  1  0.037359  0.570854  0.602404  1
  Cu  Cu54  1  0.357893  0.211804  0.546071  1
  Cu  Cu55  1  0.422980  0.841021  0.578824  1
  Cu  Cu56  1  0.922000  0.841021  0.578824  1
  Cu  Cu57  1  0.219754  0.935754  0.658863  1
  Cu  Cu58  1  0.537810  0.571756  0.602285  1
  Cu  Cu59  1  0.603568  0.203174  0.634667  1
  Cu  Cu60  1  0.103425  0.203165  0.634666  1
  Cu  Cu61  1  0.385401  0.267224  0.713078  1
  Cu  Cu62  1  0.716712  0.929676  0.658480  1
  Cu  Cu63  1  0.776016  0.557682  0.691519  1
  Cu  Cu64  1  0.285427  0.557686  0.691526  1
