# generated using pymatgen
data_Zr3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28757928
_cell_length_b   13.60090439
_cell_length_c   49.52612937
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Cu
_chemical_formula_sum   'Zr45 Cu15'
_cell_volume   2888.11404576
_cell_formula_units_Z   15
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  0.504296  0.247987  0.350663  1
  Zr  Zr2  1  0.504296  0.950000  0.321310  1
  Zr  Zr3  1  0.504296  0.639780  0.296870  1
  Zr  Zr4  1  1.004296  0.099813  0.334503  1
  Zr  Zr5  1  1.004296  0.793014  0.309754  1
  Zr  Zr6  1  1.004296  0.393402  0.366337  1
  Zr  Zr7  1  1.004296  0.314692  0.307658  1
  Zr  Zr8  1  1.004296  0.898379  0.364055  1
  Zr  Zr9  1  1.004296  0.588934  0.335895  1
  Zr  Zr10  1  0.504296  0.143907  0.434508  1
  Zr  Zr11  1  0.504296  0.845369  0.406216  1
  Zr  Zr12  1  0.504296  0.546445  0.378866  1
  Zr  Zr13  1  0.004296  0.993956  0.420553  1
  Zr  Zr14  1  1.004296  0.696063  0.391860  1
  Zr  Zr15  1  0.004296  0.293943  0.448514  1
  Zr  Zr16  1  1.004296  0.192377  0.392385  1
  Zr  Zr17  1  0.004296  0.794424  0.448102  1
  Zr  Zr18  1  0.004296  0.495936  0.420776  1
  Zr  Zr19  1  0.504296  0.043747  0.518062  1
  Zr  Zr20  1  0.504296  0.745240  0.489944  1
  Zr  Zr21  1  0.504296  0.444717  0.462357  1
  Zr  Zr22  1  0.004296  0.894643  0.504157  1
  Zr  Zr23  1  0.004296  0.595178  0.476071  1
  Zr  Zr24  1  0.004296  0.193880  0.531521  1
  Zr  Zr25  1  0.004296  0.093934  0.476202  1
  Zr  Zr26  1  0.004296  0.694560  0.531661  1
  Zr  Zr27  1  0.004296  0.394662  0.503862  1
  Zr  Zr28  1  0.504296  0.944662  0.601672  1
  Zr  Zr29  1  0.504296  0.644632  0.573453  1
  Zr  Zr30  1  0.504296  0.344385  0.545347  1
  Zr  Zr31  1  0.004296  0.794595  0.587249  1
  Zr  Zr32  1  0.004296  0.494796  0.559299  1
  Zr  Zr33  1  0.004296  0.094503  0.617257  1
  Zr  Zr34  1  0.004296  0.995663  0.560296  1
  Zr  Zr35  1  1.004296  0.595850  0.615789  1
  Zr  Zr36  1  0.004296  0.291635  0.586821  1
  Zr  Zr37  1  0.504296  0.841661  0.684562  1
  Zr  Zr38  1  0.504296  0.540292  0.657672  1
  Zr  Zr39  1  0.504296  0.242772  0.629522  1
  Zr  Zr40  1  1.004296  0.688196  0.672755  1
  Zr  Zr41  1  1.004296  0.393654  0.640740  1
  Zr  Zr42  1  1.004296  0.996345  0.695761  1
  Zr  Zr43  1  0.004296  0.890453  0.643149  1
  Zr  Zr44  1  1.004296  0.456032  0.698155  1
  Zr  Zr45  1  1.004296  0.202041  0.675075  1
  Cu  Cu46  1  0.504296  0.160395  0.300759  1
  Cu  Cu47  1  0.504296  0.746256  0.350338  1
  Cu  Cu48  1  0.504296  0.446120  0.326610  1
  Cu  Cu49  1  0.504296  0.044408  0.378233  1
  Cu  Cu50  1  0.504296  0.645215  0.434367  1
  Cu  Cu51  1  0.504296  0.344158  0.407506  1
  Cu  Cu52  1  0.504296  0.944606  0.462079  1
  Cu  Cu53  1  0.504296  0.545041  0.517537  1
  Cu  Cu54  1  0.504296  0.244029  0.490254  1
  Cu  Cu55  1  0.504296  0.844273  0.545860  1
  Cu  Cu56  1  0.504296  0.445014  0.600258  1
  Cu  Cu57  1  0.504296  0.144055  0.573281  1
  Cu  Cu58  1  0.504296  0.743464  0.629558  1
  Cu  Cu59  1  0.504296  0.342542  0.680196  1
  Cu  Cu60  1  0.504296  0.042715  0.656560  1
