# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23248608
_cell_length_b   8.35828335
_cell_length_c   46.66712776
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.71940141
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu68
_cell_volume   1596.73116613
_cell_formula_units_Z   68
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  0.579319  0.763455  0.279536  1
  Cu  Cu2  1  0.359014  1.001839  0.284785  1
  Cu  Cu3  1  0.820029  0.245403  0.290829  1
  Cu  Cu4  1  0.285166  0.491244  0.296159  1
  Cu  Cu5  1  0.062458  0.733016  0.302519  1
  Cu  Cu6  1  0.850395  0.981468  0.309657  1
  Cu  Cu7  1  0.309228  0.225095  0.315553  1
  Cu  Cu8  1  0.770880  0.469587  0.321430  1
  Cu  Cu9  1  0.551166  0.712492  0.329364  1
  Cu  Cu10  1  0.336326  0.955853  0.335417  1
  Cu  Cu11  1  0.794956  0.201797  0.341901  1
  Cu  Cu12  1  0.256337  0.445239  0.348014  1
  Cu  Cu13  1  0.039286  0.689212  0.354897  1
  Cu  Cu14  1  0.824060  0.934185  0.361744  1
  Cu  Cu15  1  0.283233  0.178276  0.367989  1
  Cu  Cu16  1  0.744415  0.422900  0.374391  1
  Cu  Cu17  1  0.527194  0.666417  0.381484  1
  Cu  Cu18  1  0.310942  0.910834  0.388045  1
  Cu  Cu19  1  0.771231  0.155595  0.394539  1
  Cu  Cu20  1  0.232614  0.399480  0.400975  1
  Cu  Cu21  1  0.015302  0.643632  0.407762  1
  Cu  Cu22  1  0.798651  0.888091  0.414470  1
  Cu  Cu23  1  0.259521  0.132442  0.420921  1
  Cu  Cu24  1  0.721028  0.376788  0.427451  1
  Cu  Cu25  1  0.503503  0.620769  0.434218  1
  Cu  Cu26  1  0.286550  0.865107  0.440845  1
  Cu  Cu27  1  0.747806  0.109562  0.447377  1
  Cu  Cu28  1  0.209372  0.353737  0.453919  1
  Cu  Cu29  1  0.991872  0.597904  0.460622  1
  Cu  Cu30  1  0.774697  0.842210  0.467267  1
  Cu  Cu31  1  0.236160  0.086556  0.473795  1
  Cu  Cu32  1  0.697773  0.330850  0.480369  1
  Cu  Cu33  1  0.480254  0.574990  0.487061  1
  Cu  Cu34  1  0.262935  0.819250  0.493678  1
  Cu  Cu35  1  0.724538  0.063623  0.500228  1
  Cu  Cu36  1  0.186165  0.307907  0.506804  1
  Cu  Cu37  1  0.968652  0.552057  0.513499  1
  Cu  Cu38  1  0.751240  0.796324  0.520110  1
  Cu  Cu39  1  0.212931  0.040645  0.526644  1
  Cu  Cu40  1  0.674517  0.284994  0.533239  1
  Cu  Cu41  1  0.457092  0.529175  0.539947  1
  Cu  Cu42  1  0.239531  0.773314  0.546533  1
  Cu  Cu43  1  0.701332  0.017748  0.553073  1
  Cu  Cu44  1  0.162866  0.262123  0.559634  1
  Cu  Cu45  1  0.945351  0.506143  0.566417  1
  Cu  Cu46  1  0.727889  0.750447  0.572993  1
  Cu  Cu47  1  0.189724  0.994720  0.579465  1
  Cu  Cu48  1  0.650974  0.239277  0.586082  1
  Cu  Cu49  1  0.433801  0.483452  0.592880  1
  Cu  Cu50  1  0.216070  0.727235  0.599400  1
  Cu  Cu51  1  0.678088  0.971995  0.605896  1
  Cu  Cu52  1  0.138940  0.216492  0.612341  1
  Cu  Cu53  1  0.921438  0.460118  0.619473  1
  Cu  Cu54  1  0.704568  0.704594  0.625954  1
  Cu  Cu55  1  0.166338  0.948484  0.632234  1
  Cu  Cu56  1  0.626174  0.193740  0.638920  1
  Cu  Cu57  1  0.409804  0.437722  0.645800  1
  Cu  Cu58  1  0.192835  0.681048  0.652130  1
  Cu  Cu59  1  0.654408  0.926876  0.658524  1
  Cu  Cu60  1  0.114208  0.170524  0.664421  1
  Cu  Cu61  1  0.897268  0.413039  0.672400  1
  Cu  Cu62  1  0.679416  0.658085  0.678454  1
  Cu  Cu63  1  0.141732  0.901999  0.684429  1
  Cu  Cu64  1  0.600287  0.149301  0.691259  1
  Cu  Cu65  1  0.383728  0.392334  0.697596  1
  Cu  Cu66  1  0.168496  0.636969  0.703214  1
  Cu  Cu67  1  0.627762  0.880295  0.709163  1
  Cu  Cu68  1  0.081847  0.121824  0.714227  1
