# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12050267
_cell_length_b   8.89072447
_cell_length_c   48.06688648
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu66
_cell_volume   1716.30767793
_cell_formula_units_Z   66
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
  Cu  Cu1  1  0.172814  0.861049  0.280146  1
  Cu  Cu2  1  0.320507  0.161477  0.293497  1
  Cu  Cu3  1  0.469601  0.468336  0.306624  1
  Cu  Cu4  1  0.592636  0.701693  0.274750  1
  Cu  Cu5  1  0.743917  1.006064  0.287399  1
  Cu  Cu6  1  0.894394  0.312580  0.299633  1
  Cu  Cu7  1  0.619823  0.788124  0.320600  1
  Cu  Cu8  1  0.770801  0.105200  0.334074  1
  Cu  Cu9  1  0.926619  0.420542  0.346261  1
  Cu  Cu10  1  0.047300  0.627940  0.309535  1
  Cu  Cu11  1  0.196179  0.949248  0.326930  1
  Cu  Cu12  1  0.347214  0.261359  0.340796  1
  Cu  Cu13  1  0.080220  0.730385  0.359727  1
  Cu  Cu14  1  0.236627  0.048499  0.375562  1
  Cu  Cu15  1  0.392099  0.362335  0.389558  1
  Cu  Cu16  1  0.501250  0.572876  0.354518  1
  Cu  Cu17  1  0.658173  0.889180  0.368728  1
  Cu  Cu18  1  0.815177  0.207391  0.382259  1
  Cu  Cu19  1  0.547553  0.675019  0.403241  1
  Cu  Cu20  1  0.705302  0.991426  0.417197  1
  Cu  Cu21  1  0.862191  0.306905  0.431040  1
  Cu  Cu22  1  0.970312  0.519846  0.395532  1
  Cu  Cu23  1  0.126095  0.832558  0.409556  1
  Cu  Cu24  1  0.283706  0.149004  0.424285  1
  Cu  Cu25  1  0.017943  0.620295  0.444764  1
  Cu  Cu26  1  0.174164  0.934300  0.458779  1
  Cu  Cu27  1  0.330985  0.249518  0.473020  1
  Cu  Cu28  1  0.439833  0.463140  0.438245  1
  Cu  Cu29  1  0.595959  0.777144  0.451993  1
  Cu  Cu30  1  0.752712  0.092160  0.465981  1
  Cu  Cu31  1  0.487577  0.564331  0.487026  1
  Cu  Cu32  1  0.643842  0.878406  0.500939  1
  Cu  Cu33  1  0.800205  0.192709  0.514847  1
  Cu  Cu34  1  0.909355  0.407079  0.479919  1
  Cu  Cu35  1  0.065718  0.721382  0.493827  1
  Cu  Cu36  1  0.221982  0.035457  0.507739  1
  Cu  Cu37  1  0.956847  0.507627  0.528785  1
  Cu  Cu38  1  0.113600  0.822643  0.542773  1
  Cu  Cu39  1  0.269727  0.136648  0.556520  1
  Cu  Cu40  1  0.378575  0.350270  0.521745  1
  Cu  Cu41  1  0.535396  0.665488  0.535987  1
  Cu  Cu42  1  0.691616  0.979493  0.550001  1
  Cu  Cu43  1  0.425853  0.450784  0.570481  1
  Cu  Cu44  1  0.583465  0.767230  0.585209  1
  Cu  Cu45  1  0.739247  0.079942  0.599233  1
  Cu  Cu46  1  0.847369  0.292883  0.563726  1
  Cu  Cu47  1  0.004257  0.608361  0.577568  1
  Cu  Cu48  1  0.162007  0.924769  0.591524  1
  Cu  Cu49  1  0.894382  0.392397  0.612507  1
  Cu  Cu50  1  0.051387  0.710608  0.626037  1
  Cu  Cu51  1  0.208309  0.026912  0.640247  1
  Cu  Cu52  1  0.317460  0.237453  0.605208  1
  Cu  Cu53  1  0.472932  0.551289  0.619204  1
  Cu  Cu54  1  0.629339  0.869403  0.635038  1
  Cu  Cu55  1  0.362346  0.338428  0.653969  1
  Cu  Cu56  1  0.513380  0.650540  0.667835  1
  Cu  Cu57  1  0.662260  0.971848  0.685230  1
  Cu  Cu58  1  0.782940  0.179245  0.648504  1
  Cu  Cu59  1  0.938759  0.494588  0.660691  1
  Cu  Cu60  1  0.089737  0.811664  0.674165  1
  Cu  Cu61  1  0.815165  0.287208  0.695132  1
  Cu  Cu62  1  0.965643  0.593724  0.707366  1
  Cu  Cu63  1  0.116924  0.898095  0.720015  1
  Cu  Cu64  1  0.239958  0.131452  0.688141  1
  Cu  Cu65  1  0.389053  0.438311  0.701269  1
  Cu  Cu66  1  0.536745  0.738739  0.714619  1
