# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38545882
_cell_length_b   12.45494611
_cell_length_c   48.28327963
_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   'Zr32 Cu16'
_cell_volume   2035.89862989
_cell_formula_units_Z   16
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  0.001476  0.067984  0.311575  1
  Zr  Zr2  1  0.501476  0.858727  0.320097  1
  Zr  Zr3  1  0.501476  0.631991  0.284119  1
  Zr  Zr4  1  0.001476  0.417729  0.290373  1
  Zr  Zr5  1  0.001476  0.926818  0.371514  1
  Zr  Zr6  1  0.501476  0.708820  0.376268  1
  Zr  Zr7  1  0.501476  0.500063  0.341080  1
  Zr  Zr8  1  0.001476  0.281250  0.346058  1
  Zr  Zr9  1  0.001476  0.778793  0.429984  1
  Zr  Zr10  1  0.501476  0.562613  0.435374  1
  Zr  Zr11  1  0.501476  0.352129  0.400084  1
  Zr  Zr12  1  0.001476  0.136963  0.405547  1
  Zr  Zr13  1  0.001476  0.631232  0.489067  1
  Zr  Zr14  1  0.501476  0.415415  0.494644  1
  Zr  Zr15  1  0.501476  0.204960  0.459393  1
  Zr  Zr16  1  0.001476  0.989577  0.465151  1
  Zr  Zr17  1  0.001476  0.483580  0.548321  1
  Zr  Zr18  1  0.501476  0.267964  0.553867  1
  Zr  Zr19  1  0.501476  0.057614  0.518657  1
  Zr  Zr20  1  0.001476  0.841539  0.524316  1
  Zr  Zr21  1  0.001476  0.336529  0.607552  1
  Zr  Zr22  1  0.501476  0.120356  0.613033  1
  Zr  Zr23  1  0.501476  0.910269  0.577773  1
  Zr  Zr24  1  0.001476  0.693898  0.583421  1
  Zr  Zr25  1  0.001476  0.190173  0.666869  1
  Zr  Zr26  1  0.501476  0.972682  0.672045  1
  Zr  Zr27  1  0.501476  0.761553  0.636620  1
  Zr  Zr28  1  0.001476  0.546768  0.642990  1
  Zr  Zr29  1  0.001476  0.051077  0.723018  1
  Zr  Zr30  1  0.501476  0.837398  0.727457  1
  Zr  Zr31  1  0.501476  0.616844  0.696164  1
  Zr  Zr32  1  0.001476  0.400084  0.700946  1
  Cu  Cu33  1  0.501476  0.244227  0.299777  1
  Cu  Cu34  1  0.001476  0.805461  0.279112  1
  Cu  Cu35  1  0.501476  0.104344  0.357585  1
  Cu  Cu36  1  0.001476  0.681954  0.328356  1
  Cu  Cu37  1  0.501476  0.958507  0.418353  1
  Cu  Cu38  1  0.001476  0.530052  0.388349  1
  Cu  Cu39  1  0.501476  0.810520  0.477178  1
  Cu  Cu40  1  0.001476  0.383799  0.447404  1
  Cu  Cu41  1  0.501476  0.662477  0.536284  1
  Cu  Cu42  1  0.001476  0.236512  0.506619  1
  Cu  Cu43  1  0.501476  0.515566  0.595533  1
  Cu  Cu44  1  0.001476  0.089194  0.565814  1
  Cu  Cu45  1  0.501476  0.366978  0.655023  1
  Cu  Cu46  1  0.001476  0.940908  0.625121  1
  Cu  Cu47  1  0.501476  0.223858  0.713282  1
  Cu  Cu48  1  0.001476  0.790963  0.682897  1
