# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17438451
_cell_length_b   7.16016778
_cell_length_c   47.61139073
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr32 Cu32'
_cell_volume   2396.37252517
_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  0.645146  0.649559  0.290675  1
  Zr  Zr2  1  0.145146  0.149559  0.290675  1
  Zr  Zr3  1  0.056485  0.563859  0.313926  1
  Zr  Zr4  1  0.556485  0.063859  0.313926  1
  Zr  Zr5  1  0.483670  0.487169  0.344457  1
  Zr  Zr6  1  0.983670  0.987169  0.344457  1
  Zr  Zr7  1  0.885526  0.393138  0.369087  1
  Zr  Zr8  1  0.385526  0.893138  0.369087  1
  Zr  Zr9  1  0.311780  0.312871  0.400272  1
  Zr  Zr10  1  0.811780  0.812871  0.400272  1
  Zr  Zr11  1  0.712536  0.220244  0.426406  1
  Zr  Zr12  1  0.212536  0.720244  0.426406  1
  Zr  Zr13  1  0.139762  0.138491  0.456992  1
  Zr  Zr14  1  0.639762  0.638491  0.456992  1
  Zr  Zr15  1  0.538577  0.045320  0.483026  1
  Zr  Zr16  1  0.038577  0.545320  0.483026  1
  Zr  Zr17  1  0.966034  0.962939  0.513586  1
  Zr  Zr18  1  0.466034  0.462939  0.513586  1
  Zr  Zr19  1  0.364850  0.869767  0.539620  1
  Zr  Zr20  1  0.864850  0.369767  0.539620  1
  Zr  Zr21  1  0.792076  0.788014  0.570206  1
  Zr  Zr22  1  0.292076  0.288014  0.570206  1
  Zr  Zr23  1  0.192832  0.695387  0.596340  1
  Zr  Zr24  1  0.692832  0.195387  0.596340  1
  Zr  Zr25  1  0.619085  0.615121  0.627525  1
  Zr  Zr26  1  0.119085  0.115121  0.627525  1
  Zr  Zr27  1  0.020942  0.521089  0.652155  1
  Zr  Zr28  1  0.520942  0.021089  0.652155  1
  Zr  Zr29  1  0.448127  0.444400  0.682686  1
  Zr  Zr30  1  0.948127  0.944400  0.682686  1
  Zr  Zr31  1  0.859466  0.358699  0.705937  1
  Zr  Zr32  1  0.359466  0.858699  0.705937  1
  Cu  Cu33  1  0.899875  0.908225  0.291751  1
  Cu  Cu34  1  0.399875  0.408225  0.291751  1
  Cu  Cu35  1  0.297781  0.800908  0.311623  1
  Cu  Cu36  1  0.797781  0.300908  0.311623  1
  Cu  Cu37  1  0.738013  0.747083  0.343983  1
  Cu  Cu38  1  0.238013  0.247083  0.343983  1
  Cu  Cu39  1  0.135209  0.635474  0.369228  1
  Cu  Cu40  1  0.635209  0.135474  0.369228  1
  Cu  Cu41  1  0.562878  0.573127  0.401118  1
  Cu  Cu42  1  0.062878  0.073127  0.401118  1
  Cu  Cu43  1  0.963050  0.459896  0.425511  1
  Cu  Cu44  1  0.463050  0.959896  0.425511  1
  Cu  Cu45  1  0.388320  0.399064  0.457522  1
  Cu  Cu46  1  0.888320  0.899064  0.457522  1
  Cu  Cu47  1  0.790213  0.284354  0.482368  1
  Cu  Cu48  1  0.290213  0.784354  0.482368  1
  Cu  Cu49  1  0.214399  0.223904  0.514244  1
  Cu  Cu50  1  0.714399  0.723904  0.514244  1
  Cu  Cu51  1  0.616292  0.109194  0.539090  1
  Cu  Cu52  1  0.116292  0.609194  0.539090  1
  Cu  Cu53  1  0.041561  0.048362  0.571100  1
  Cu  Cu54  1  0.541561  0.548362  0.571100  1
  Cu  Cu55  1  0.441734  0.935132  0.595494  1
  Cu  Cu56  1  0.941734  0.435132  0.595494  1
  Cu  Cu57  1  0.869403  0.872784  0.627383  1
  Cu  Cu58  1  0.369403  0.372784  0.627383  1
  Cu  Cu59  1  0.266599  0.761175  0.652628  1
  Cu  Cu60  1  0.766599  0.261175  0.652628  1
  Cu  Cu61  1  0.706830  0.707350  0.684989  1
  Cu  Cu62  1  0.206830  0.207350  0.684989  1
  Cu  Cu63  1  0.104737  0.600033  0.704861  1
  Cu  Cu64  1  0.604737  0.100033  0.704861  1
