# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99119959
_cell_length_b   7.53476110
_cell_length_c   46.96071406
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.28329959
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr32 Cu32'
_cell_volume   2430.60483803
_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  0.778720  0.677307  0.316751  1
  Zr  Zr2  1  0.278720  0.177307  0.316751  1
  Zr  Zr3  1  0.357186  0.751981  0.291725  1
  Zr  Zr4  1  0.857186  0.251981  0.291725  1
  Zr  Zr5  1  0.603562  0.535237  0.372574  1
  Zr  Zr6  1  0.103562  0.035237  0.372574  1
  Zr  Zr7  1  0.190008  0.607585  0.345594  1
  Zr  Zr8  1  0.690008  0.107585  0.345594  1
  Zr  Zr9  1  0.429069  0.391808  0.428968  1
  Zr  Zr10  1  0.929069  0.891808  0.428968  1
  Zr  Zr11  1  0.015831  0.462971  0.401310  1
  Zr  Zr12  1  0.515831  0.962971  0.401310  1
  Zr  Zr13  1  0.253969  0.248073  0.484646  1
  Zr  Zr14  1  0.753969  0.748073  0.484646  1
  Zr  Zr15  1  0.841207  0.319869  0.456926  1
  Zr  Zr16  1  0.341207  0.819869  0.456926  1
  Zr  Zr17  1  0.079168  0.104493  0.540418  1
  Zr  Zr18  1  0.579168  0.604493  0.540418  1
  Zr  Zr19  1  0.666406  0.176289  0.512699  1
  Zr  Zr20  1  0.166406  0.676289  0.512699  1
  Zr  Zr21  1  0.904544  0.961391  0.596035  1
  Zr  Zr22  1  0.404544  0.461391  0.596035  1
  Zr  Zr23  1  0.491306  0.032554  0.568376  1
  Zr  Zr24  1  0.991306  0.532554  0.568376  1
  Zr  Zr25  1  0.730366  0.816777  0.651751  1
  Zr  Zr26  1  0.230366  0.316777  0.651751  1
  Zr  Zr27  1  0.316813  0.889125  0.624771  1
  Zr  Zr28  1  0.816813  0.389125  0.624771  1
  Zr  Zr29  1  0.563188  0.672381  0.705620  1
  Zr  Zr30  1  0.063188  0.172381  0.705620  1
  Zr  Zr31  1  0.141654  0.747055  0.680593  1
  Zr  Zr32  1  0.641654  0.247055  0.680593  1
  Cu  Cu33  1  0.617321  0.994875  0.291748  1
  Cu  Cu34  1  0.117321  0.494875  0.291748  1
  Cu  Cu35  1  0.019481  0.926956  0.316454  1
  Cu  Cu36  1  0.519481  0.426956  0.316454  1
  Cu  Cu37  1  0.443435  0.858549  0.345326  1
  Cu  Cu38  1  0.943435  0.358549  0.345326  1
  Cu  Cu39  1  0.853022  0.785326  0.373334  1
  Cu  Cu40  1  0.353022  0.285326  0.373334  1
  Cu  Cu41  1  0.266346  0.713302  0.401280  1
  Cu  Cu42  1  0.766346  0.213302  0.401280  1
  Cu  Cu43  1  0.678524  0.641375  0.428804  1
  Cu  Cu44  1  0.178524  0.141375  0.428804  1
  Cu  Cu45  1  0.091459  0.569892  0.456895  1
  Cu  Cu46  1  0.591459  0.069892  0.456895  1
  Cu  Cu47  1  0.503770  0.498033  0.484772  1
  Cu  Cu48  1  0.003770  0.998033  0.484772  1
  Cu  Cu49  1  0.916604  0.426329  0.512573  1
  Cu  Cu50  1  0.416604  0.926329  0.512573  1
  Cu  Cu51  1  0.328916  0.354470  0.540450  1
  Cu  Cu52  1  0.828916  0.854470  0.540450  1
  Cu  Cu53  1  0.741850  0.282987  0.568540  1
  Cu  Cu54  1  0.241850  0.782987  0.568540  1
  Cu  Cu55  1  0.154029  0.211060  0.596064  1
  Cu  Cu56  1  0.654029  0.711060  0.596064  1
  Cu  Cu57  1  0.567352  0.139036  0.624010  1
  Cu  Cu58  1  0.067352  0.639036  0.624010  1
  Cu  Cu59  1  0.976940  0.065813  0.652019  1
  Cu  Cu60  1  0.476940  0.565813  0.652019  1
  Cu  Cu61  1  0.400893  0.997406  0.680890  1
  Cu  Cu62  1  0.900893  0.497406  0.680890  1
  Cu  Cu63  1  0.803053  0.929487  0.705597  1
  Cu  Cu64  1  0.303053  0.429487  0.705597  1
