# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43105718
_cell_length_b   12.56027584
_cell_length_c   46.86170144
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu84
_cell_volume   2019.50617443
_cell_formula_units_Z   84
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  0.508900  0.351585  0.329682  1
  Cu  Cu2  1  0.508900  0.122056  0.289206  1
  Cu  Cu3  1  0.508900  0.736916  0.307784  1
  Cu  Cu4  1  1.008900  0.620444  0.289960  1
  Cu  Cu5  1  1.008900  0.235903  0.308927  1
  Cu  Cu6  1  1.008900  0.850073  0.328028  1
  Cu  Cu7  1  1.008900  0.429254  0.297937  1
  Cu  Cu8  1  1.008900  0.043265  0.318487  1
  Cu  Cu9  1  1.008900  0.659104  0.339471  1
  Cu  Cu10  1  0.508900  0.542691  0.318417  1
  Cu  Cu11  1  0.508900  0.312361  0.280335  1
  Cu  Cu12  1  0.508900  0.929921  0.298788  1
  Cu  Cu13  1  0.508900  0.196137  0.391654  1
  Cu  Cu14  1  0.508900  0.965924  0.349407  1
  Cu  Cu15  1  0.508900  0.581465  0.370368  1
  Cu  Cu16  1  1.008900  0.466846  0.349567  1
  Cu  Cu17  1  1.008900  0.080925  0.370452  1
  Cu  Cu18  1  1.008900  0.696448  0.391272  1
  Cu  Cu19  1  1.008900  0.273929  0.360470  1
  Cu  Cu20  1  1.008900  0.888368  0.380439  1
  Cu  Cu21  1  1.008900  0.503958  0.401901  1
  Cu  Cu22  1  0.508900  0.389215  0.381281  1
  Cu  Cu23  1  0.508900  0.158650  0.339597  1
  Cu  Cu24  1  0.508900  0.774043  0.359518  1
  Cu  Cu25  1  0.508900  0.040646  0.454145  1
  Cu  Cu26  1  0.508900  0.811092  0.412029  1
  Cu  Cu27  1  0.508900  0.426105  0.433422  1
  Cu  Cu28  1  1.008900  0.311192  0.412608  1
  Cu  Cu29  1  1.008900  0.925760  0.433030  1
  Cu  Cu30  1  1.008900  0.540873  0.454182  1
  Cu  Cu31  1  0.008900  0.118328  0.422848  1
  Cu  Cu32  1  1.008900  0.733415  0.443564  1
  Cu  Cu33  1  0.008900  0.348218  0.464816  1
  Cu  Cu34  1  0.508900  0.233309  0.443900  1
  Cu  Cu35  1  0.508900  0.003337  0.401713  1
  Cu  Cu36  1  0.508900  0.618623  0.422711  1
  Cu  Cu37  1  0.508900  0.885366  0.516854  1
  Cu  Cu38  1  0.508900  0.655657  0.474998  1
  Cu  Cu39  1  0.508900  0.270414  0.496191  1
  Cu  Cu40  1  0.008900  0.155545  0.475215  1
  Cu  Cu41  1  1.008900  0.770498  0.495878  1
  Cu  Cu42  1  1.008900  0.385255  0.517071  1
  Cu  Cu43  1  1.008900  0.963022  0.485493  1
  Cu  Cu44  1  1.008900  0.577854  0.506428  1
  Cu  Cu45  1  0.008900  0.192711  0.527602  1
  Cu  Cu46  1  0.508900  0.077889  0.506575  1
  Cu  Cu47  1  0.508900  0.848200  0.464467  1
  Cu  Cu48  1  0.508900  0.463057  0.485640  1
  Cu  Cu49  1  0.508900  0.729719  0.579460  1
  Cu  Cu50  1  0.508900  0.500039  0.537887  1
  Cu  Cu51  1  0.508900  0.115151  0.559038  1
  Cu  Cu52  1  1.008900  1.000266  0.537924  1
  Cu  Cu53  1  1.008900  0.614806  0.558646  1
  Cu  Cu54  1  1.008900  0.229819  0.580039  1
  Cu  Cu55  1  1.008900  0.807603  0.548168  1
  Cu  Cu56  1  1.008900  0.422289  0.569358  1
  Cu  Cu57  1  1.008900  0.037574  0.590355  1
  Cu  Cu58  1  0.508900  0.922583  0.569220  1
  Cu  Cu59  1  0.508900  0.692694  0.527252  1
  Cu  Cu60  1  0.508900  0.307496  0.548505  1
  Cu  Cu61  1  0.508900  0.574065  0.642501  1
  Cu  Cu62  1  0.508900  0.344463  0.600797  1
  Cu  Cu63  1  0.508900  0.959986  0.621616  1
  Cu  Cu64  1  1.008900  0.844774  0.600414  1
  Cu  Cu65  1  1.008900  0.459447  0.621700  1
  Cu  Cu66  1  1.008900  0.074987  0.642661  1
  Cu  Cu67  1  1.008900  0.651697  0.610787  1
  Cu  Cu68  1  1.008900  0.266869  0.632551  1
  Cu  Cu69  1  1.008900  0.882261  0.652471  1
  Cu  Cu70  1  0.508900  0.766982  0.631598  1
  Cu  Cu71  1  0.508900  0.536953  0.590167  1
  Cu  Cu72  1  0.508900  0.152544  0.611630  1
  Cu  Cu73  1  0.508900  0.420467  0.702109  1
  Cu  Cu74  1  0.508900  0.190838  0.664040  1
  Cu  Cu75  1  0.508900  0.805008  0.683141  1
  Cu  Cu76  1  1.008900  0.689326  0.662386  1
  Cu  Cu77  1  1.008900  0.303995  0.684284  1
  Cu  Cu78  1  1.008900  0.918855  0.702862  1
  Cu  Cu79  1  1.008900  0.498220  0.673651  1
  Cu  Cu80  1  1.008900  0.110990  0.693280  1
  Cu  Cu81  1  1.008900  0.728550  0.711734  1
  Cu  Cu82  1  0.508900  0.611657  0.694132  1
  Cu  Cu83  1  0.508900  0.381807  0.652597  1
  Cu  Cu84  1  0.508900  0.997646  0.673582  1
