# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41579226
_cell_length_b   8.77156622
_cell_length_c   45.80300454
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.63235513
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu64
_cell_volume   1716.56656119
_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  0.401715  0.138582  0.288369  1
  Cu  Cu2  1  0.645982  0.628811  0.301340  1
  Cu  Cu3  1  0.606232  0.895107  0.282856  1
  Cu  Cu4  1  0.857809  0.383754  0.295083  1
  Cu  Cu5  1  0.891879  0.118309  0.314574  1
  Cu  Cu6  1  0.137376  0.608524  0.327617  1
  Cu  Cu7  1  0.100539  0.872521  0.308071  1
  Cu  Cu8  1  0.349822  0.362632  0.321307  1
  Cu  Cu9  1  0.381918  0.095181  0.342001  1
  Cu  Cu10  1  0.625666  0.583784  0.355723  1
  Cu  Cu11  1  0.593497  0.851264  0.335816  1
  Cu  Cu12  1  0.839486  0.340327  0.348986  1
  Cu  Cu13  1  0.870705  0.073210  0.369957  1
  Cu  Cu14  1  0.114552  0.561584  0.383574  1
  Cu  Cu15  1  0.083152  0.827908  0.363081  1
  Cu  Cu16  1  0.329645  0.317034  0.376823  1
  Cu  Cu17  1  0.358906  0.050017  0.397755  1
  Cu  Cu18  1  0.603145  0.538782  0.411586  1
  Cu  Cu19  1  0.573959  0.805496  0.390989  1
  Cu  Cu20  1  0.819280  0.294675  0.404736  1
  Cu  Cu21  1  0.847704  0.027507  0.425689  1
  Cu  Cu22  1  0.092131  0.516178  0.439524  1
  Cu  Cu23  1  0.063559  0.782928  0.418785  1
  Cu  Cu24  1  0.308297  0.271746  0.432627  1
  Cu  Cu25  1  0.336537  0.004748  0.453566  1
  Cu  Cu26  1  0.580949  0.493448  0.467444  1
  Cu  Cu27  1  0.552742  0.760335  0.446666  1
  Cu  Cu28  1  0.797267  0.249145  0.460539  1
  Cu  Cu29  1  0.825393  0.982089  0.481468  1
  Cu  Cu30  1  0.069817  0.470809  0.495360  1
  Cu  Cu31  1  0.041654  0.737690  0.474548  1
  Cu  Cu32  1  0.286102  0.226423  0.488434  1
  Cu  Cu33  1  0.314236  0.959407  0.509368  1
  Cu  Cu34  1  0.558684  0.448140  0.523254  1
  Cu  Cu35  1  0.530520  0.715021  0.502442  1
  Cu  Cu36  1  0.774945  0.203741  0.516334  1
  Cu  Cu37  1  0.803071  0.936685  0.537263  1
  Cu  Cu38  1  0.047596  0.425496  0.551136  1
  Cu  Cu39  1  0.019388  0.692382  0.530358  1
  Cu  Cu40  1  0.263801  0.181082  0.544236  1
  Cu  Cu41  1  0.292041  0.914084  0.565175  1
  Cu  Cu42  1  0.536779  0.402902  0.579017  1
  Cu  Cu43  1  0.508207  0.669652  0.558278  1
  Cu  Cu44  1  0.752633  0.158323  0.572113  1
  Cu  Cu45  1  0.781058  0.891155  0.593066  1
  Cu  Cu46  1  0.026378  0.380334  0.606813  1
  Cu  Cu47  1  0.997193  0.647048  0.586216  1
  Cu  Cu48  1  0.241431  0.135813  0.600047  1
  Cu  Cu49  1  0.270692  0.868796  0.620979  1
  Cu  Cu50  1  0.517186  0.357922  0.634721  1
  Cu  Cu51  1  0.485786  0.624246  0.614228  1
  Cu  Cu52  1  0.729633  0.112620  0.627845  1
  Cu  Cu53  1  0.760852  0.845503  0.648816  1
  Cu  Cu54  1  0.006841  0.334566  0.661986  1
  Cu  Cu55  1  0.974672  0.602046  0.642079  1
  Cu  Cu56  1  0.218419  0.090649  0.655801  1
  Cu  Cu57  1  0.250515  0.823198  0.676495  1
  Cu  Cu58  1  0.499799  0.313310  0.689731  1
  Cu  Cu59  1  0.462961  0.577306  0.670185  1
  Cu  Cu60  1  0.708458  0.067522  0.683228  1
  Cu  Cu61  1  0.742529  0.802076  0.702719  1
  Cu  Cu62  1  0.994106  0.290723  0.714946  1
  Cu  Cu63  1  0.954355  0.557019  0.696462  1
  Cu  Cu64  1  0.198623  0.047248  0.709433  1
