# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38743523
_cell_length_b   8.67283702
_cell_length_c   45.70611008
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.70525871
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu64
_cell_volume   1682.21854136
_cell_formula_units_Z   64
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  0.835510  0.774173  0.280800  1
  Cu  Cu2  1  0.608775  0.013190  0.286725  1
  Cu  Cu3  1  0.073217  0.257048  0.293288  1
  Cu  Cu4  1  0.540371  0.502073  0.299304  1
  Cu  Cu5  1  0.317786  0.744293  0.306360  1
  Cu  Cu6  1  0.101340  0.992191  0.313757  1
  Cu  Cu7  1  0.562329  0.235761  0.320199  1
  Cu  Cu8  1  0.025497  0.480368  0.326517  1
  Cu  Cu9  1  0.805833  0.723726  0.334481  1
  Cu  Cu10  1  0.589385  0.967258  0.341016  1
  Cu  Cu11  1  0.049186  0.212935  0.347939  1
  Cu  Cu12  1  0.510823  0.456724  0.354490  1
  Cu  Cu13  1  0.293843  0.700652  0.361735  1
  Cu  Cu14  1  0.078276  0.945416  0.368857  1
  Cu  Cu15  1  0.537566  0.189535  0.375561  1
  Cu  Cu16  1  0.998330  0.434135  0.382332  1
  Cu  Cu17  1  0.781902  0.677860  0.389699  1
  Cu  Cu18  1  0.566138  0.922251  0.396615  1
  Cu  Cu19  1  0.025806  0.166877  0.403506  1
  Cu  Cu20  1  0.486314  0.410917  0.410314  1
  Cu  Cu21  1  0.270111  0.655088  0.417444  1
  Cu  Cu22  1  0.054312  0.899495  0.424477  1
  Cu  Cu23  1  0.514202  0.143848  0.431323  1
  Cu  Cu24  1  0.974603  0.388213  0.438210  1
  Cu  Cu25  1  0.758368  0.632258  0.445323  1
  Cu  Cu26  1  0.542516  0.876596  0.452295  1
  Cu  Cu27  1  1.002590  0.121017  0.459196  1
  Cu  Cu28  1  0.462924  0.365257  0.466103  1
  Cu  Cu29  1  0.246783  0.609459  0.473160  1
  Cu  Cu30  1  0.030811  0.853741  0.480148  1
  Cu  Cu31  1  0.491028  0.098110  0.487042  1
  Cu  Cu32  1  0.951351  0.342435  0.493973  1
  Cu  Cu33  1  0.735172  0.586583  0.501029  1
  Cu  Cu34  1  0.519150  0.830879  0.507997  1
  Cu  Cu35  1  0.979476  0.075235  0.514892  1
  Cu  Cu36  1  0.439771  0.319553  0.521843  1
  Cu  Cu37  1  0.223639  0.563766  0.528892  1
  Cu  Cu38  1  0.007460  0.807964  0.535851  1
  Cu  Cu39  1  0.467937  0.052386  0.542744  1
  Cu  Cu40  1  0.928250  0.296737  0.549680  1
  Cu  Cu41  1  0.711978  0.540827  0.556783  1
  Cu  Cu42  1  0.495768  0.785134  0.563727  1
  Cu  Cu43  1  0.956396  0.029450  0.570572  1
  Cu  Cu44  1  0.416633  0.273914  0.577559  1
  Cu  Cu45  1  0.200468  0.518116  0.584659  1
  Cu  Cu46  1  0.983857  0.762071  0.591572  1
  Cu  Cu47  1  0.444811  0.006699  0.598427  1
  Cu  Cu48  1  0.905068  0.251099  0.605301  1
  Cu  Cu49  1  0.688486  0.494969  0.612642  1
  Cu  Cu50  1  0.471965  0.739415  0.619519  1
  Cu  Cu51  1  0.933152  0.983424  0.626218  1
  Cu  Cu52  1  0.393343  0.228292  0.633267  1
  Cu  Cu53  1  0.177057  0.472301  0.640422  1
  Cu  Cu54  1  0.959526  0.715982  0.647235  1
  Cu  Cu55  1  0.421439  0.961624  0.654008  1
  Cu  Cu56  1  0.882597  0.205270  0.660508  1
  Cu  Cu57  1  0.665293  0.448263  0.668395  1
  Cu  Cu58  1  0.445076  0.693283  0.674922  1
  Cu  Cu59  1  0.909146  0.937221  0.681417  1
  Cu  Cu60  1  0.370688  0.183875  0.688634  1
  Cu  Cu61  1  0.153134  0.427556  0.695546  1
  Cu  Cu62  1  0.931359  0.670958  0.701909  1
  Cu  Cu63  1  0.395032  0.914411  0.708276  1
  Cu  Cu64  1  0.853710  0.156915  0.714147  1
