# generated using pymatgen
data_ZrCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91443163
_cell_length_b   6.91443163
_cell_length_c   48.50448786
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu5
_chemical_formula_sum   'Zr12 Cu60'
_cell_volume   2318.96875561
_cell_formula_units_Z   12
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  0.251500  0.751500  0.327607  1
  Zr  Zr2  1  0.751500  0.251500  0.327607  1
  Zr  Zr3  1  0.251500  0.251500  0.398664  1
  Zr  Zr4  1  0.751500  0.751500  0.398664  1
  Zr  Zr5  1  0.251500  0.751500  0.470376  1
  Zr  Zr6  1  0.751500  0.251500  0.470376  1
  Zr  Zr7  1  0.251500  0.251500  0.542090  1
  Zr  Zr8  1  0.751500  0.751500  0.542090  1
  Zr  Zr9  1  0.251500  0.751500  0.614047  1
  Zr  Zr10  1  0.751500  0.251500  0.614047  1
  Zr  Zr11  1  0.251500  0.251500  0.683946  1
  Zr  Zr12  1  0.751500  0.751500  0.683946  1
  Cu  Cu13  1  1.001500  0.501500  0.300274  1
  Cu  Cu14  1  0.127406  0.875593  0.416568  1
  Cu  Cu15  1  0.127148  0.627148  0.380768  1
  Cu  Cu16  1  0.872864  0.630136  0.345014  1
  Cu  Cu17  1  0.878783  0.878783  0.308330  1
  Cu  Cu18  1  0.501500  0.001500  0.300274  1
  Cu  Cu19  1  0.627406  0.375593  0.416568  1
  Cu  Cu20  1  0.627148  0.127148  0.380768  1
  Cu  Cu21  1  0.372864  0.130136  0.345014  1
  Cu  Cu22  1  0.378783  0.378783  0.308330  1
  Cu  Cu23  1  1.001500  0.001500  0.362461  1
  Cu  Cu24  1  0.130136  0.372864  0.345014  1
  Cu  Cu25  1  0.124217  0.124217  0.308330  1
  Cu  Cu26  1  0.875593  0.127406  0.416568  1
  Cu  Cu27  1  0.875852  0.375852  0.380768  1
  Cu  Cu28  1  0.501500  0.501500  0.362461  1
  Cu  Cu29  1  0.630136  0.872864  0.345014  1
  Cu  Cu30  1  0.624217  0.624217  0.308330  1
  Cu  Cu31  1  0.375593  0.627406  0.416568  1
  Cu  Cu32  1  0.375852  0.875852  0.380768  1
  Cu  Cu33  1  1.001500  0.501500  0.434605  1
  Cu  Cu34  1  0.127439  0.875560  0.559972  1
  Cu  Cu35  1  0.127315  0.627315  0.524240  1
  Cu  Cu36  1  0.875699  0.627301  0.488266  1
  Cu  Cu37  1  0.875659  0.875659  0.452545  1
  Cu  Cu38  1  0.501500  0.001500  0.434605  1
  Cu  Cu39  1  0.627439  0.375560  0.559972  1
  Cu  Cu40  1  0.627315  0.127315  0.524240  1
  Cu  Cu41  1  0.375699  0.127301  0.488266  1
  Cu  Cu42  1  0.375659  0.375659  0.452545  1
  Cu  Cu43  1  1.001500  0.001500  0.506263  1
  Cu  Cu44  1  0.127301  0.375699  0.488266  1
  Cu  Cu45  1  0.127340  0.127340  0.452545  1
  Cu  Cu46  1  0.875560  0.127439  0.559972  1
  Cu  Cu47  1  0.875685  0.375685  0.524240  1
  Cu  Cu48  1  0.501500  0.501500  0.506263  1
  Cu  Cu49  1  0.627301  0.875699  0.488266  1
  Cu  Cu50  1  0.627340  0.627340  0.452545  1
  Cu  Cu51  1  0.375560  0.627439  0.559972  1
  Cu  Cu52  1  0.375685  0.875685  0.524240  1
  Cu  Cu53  1  1.001500  0.501500  0.577807  1
  Cu  Cu54  1  0.120462  0.882538  0.702723  1
  Cu  Cu55  1  0.129065  0.629065  0.667751  1
  Cu  Cu56  1  0.876220  0.626779  0.631707  1
  Cu  Cu57  1  0.875522  0.875522  0.595882  1
  Cu  Cu58  1  0.501500  0.001500  0.577807  1
  Cu  Cu59  1  0.620462  0.382538  0.702723  1
  Cu  Cu60  1  0.629065  0.129065  0.667751  1
  Cu  Cu61  1  0.376220  0.126779  0.631707  1
  Cu  Cu62  1  0.375522  0.375522  0.595882  1
  Cu  Cu63  1  1.001500  0.001500  0.649812  1
  Cu  Cu64  1  0.126779  0.376220  0.631707  1
  Cu  Cu65  1  0.127478  0.127478  0.595882  1
  Cu  Cu66  1  0.882538  0.120462  0.702723  1
  Cu  Cu67  1  0.873935  0.373935  0.667751  1
  Cu  Cu68  1  0.501500  0.501500  0.649812  1
  Cu  Cu69  1  0.626779  0.876220  0.631707  1
  Cu  Cu70  1  0.627478  0.627478  0.595882  1
  Cu  Cu71  1  0.382538  0.620462  0.702723  1
  Cu  Cu72  1  0.373935  0.873935  0.667751  1
