# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.60710630
_cell_length_b   13.06870747
_cell_length_c   48.59112143
_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   2290.5960141
_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  1.004425  0.621478  0.292152  1
  Cu  Cu2  1  1.004425  0.236585  0.311061  1
  Cu  Cu3  1  1.004425  0.850073  0.330649  1
  Cu  Cu4  1  0.504425  0.351733  0.331994  1
  Cu  Cu5  1  0.504425  0.122071  0.291406  1
  Cu  Cu6  1  0.504425  0.736423  0.311051  1
  Cu  Cu7  1  0.504425  0.542849  0.320742  1
  Cu  Cu8  1  0.504425  0.314397  0.282230  1
  Cu  Cu9  1  0.504425  0.929203  0.301254  1
  Cu  Cu10  1  1.004425  0.429208  0.300973  1
  Cu  Cu11  1  1.004425  0.043569  0.320949  1
  Cu  Cu12  1  1.004425  0.659393  0.342007  1
  Cu  Cu13  1  1.004425  0.467954  0.352109  1
  Cu  Cu14  1  1.004425  0.082198  0.372965  1
  Cu  Cu15  1  1.004425  0.697438  0.393868  1
  Cu  Cu16  1  0.504425  0.197225  0.394015  1
  Cu  Cu17  1  0.504425  0.966887  0.351821  1
  Cu  Cu18  1  0.504425  0.582626  0.372936  1
  Cu  Cu19  1  0.504425  0.390183  0.383724  1
  Cu  Cu20  1  0.504425  0.159424  0.341780  1
  Cu  Cu21  1  0.504425  0.775387  0.362302  1
  Cu  Cu22  1  1.004425  0.275007  0.362877  1
  Cu  Cu23  1  1.004425  0.889637  0.383070  1
  Cu  Cu24  1  1.004425  0.504879  0.404401  1
  Cu  Cu25  1  1.004425  0.312083  0.415049  1
  Cu  Cu26  1  1.004425  0.926724  0.435576  1
  Cu  Cu27  1  1.004425  0.541658  0.456680  1
  Cu  Cu28  1  0.504425  0.041511  0.456604  1
  Cu  Cu29  1  0.504425  0.812062  0.414660  1
  Cu  Cu30  1  0.504425  0.426922  0.435878  1
  Cu  Cu31  1  0.504425  0.234178  0.446311  1
  Cu  Cu32  1  0.504425  0.004362  0.404184  1
  Cu  Cu33  1  0.504425  0.619464  0.425273  1
  Cu  Cu34  1  1.004425  0.119313  0.425283  1
  Cu  Cu35  1  1.004425  0.734253  0.446133  1
  Cu  Cu36  1  1.004425  0.349018  0.467249  1
  Cu  Cu37  1  1.004425  0.156352  0.477629  1
  Cu  Cu38  1  1.004425  0.771263  0.498415  1
  Cu  Cu39  1  1.004425  0.386000  0.519480  1
  Cu  Cu40  1  0.504425  0.886088  0.519379  1
  Cu  Cu41  1  0.504425  0.656440  0.477527  1
  Cu  Cu42  1  0.504425  0.271177  0.498592  1
  Cu  Cu43  1  0.504425  0.078618  0.509010  1
  Cu  Cu44  1  0.504425  0.849040  0.467024  1
  Cu  Cu45  1  0.504425  0.463833  0.488091  1
  Cu  Cu46  1  1.004425  0.963823  0.487997  1
  Cu  Cu47  1  1.004425  0.578608  0.508916  1
  Cu  Cu48  1  1.004425  0.193400  0.529983  1
  Cu  Cu49  1  1.004425  1.000930  0.540403  1
  Cu  Cu50  1  1.004425  0.615518  0.561129  1
  Cu  Cu51  1  1.004425  0.230378  0.582347  1
  Cu  Cu52  1  0.504425  0.730358  0.581959  1
  Cu  Cu53  1  0.504425  0.500783  0.540327  1
  Cu  Cu54  1  0.504425  0.115717  0.561431  1
  Cu  Cu55  1  0.504425  0.923127  0.571724  1
  Cu  Cu56  1  0.504425  0.693423  0.529758  1
  Cu  Cu57  1  0.504425  0.308188  0.550874  1
  Cu  Cu58  1  1.004425  0.808263  0.550696  1
  Cu  Cu59  1  1.004425  0.422977  0.571734  1
  Cu  Cu60  1  1.004425  0.038078  0.592823  1
  Cu  Cu61  1  1.004425  0.845215  0.602992  1
  Cu  Cu62  1  1.004425  0.459815  0.624072  1
  Cu  Cu63  1  1.004425  0.075554  0.645186  1
  Cu  Cu64  1  0.504425  0.574487  0.644898  1
  Cu  Cu65  1  0.504425  0.345003  0.603139  1
  Cu  Cu66  1  0.504425  0.960242  0.624042  1
  Cu  Cu67  1  0.504425  0.767434  0.634130  1
  Cu  Cu68  1  0.504425  0.537562  0.592606  1
  Cu  Cu69  1  0.504425  0.152804  0.613937  1
  Cu  Cu70  1  1.004425  0.652258  0.613283  1
  Cu  Cu71  1  1.004425  0.267054  0.634705  1
  Cu  Cu72  1  1.004425  0.883016  0.655227  1
  Cu  Cu73  1  1.004425  0.690708  0.665013  1
  Cu  Cu74  1  1.004425  0.306017  0.685957  1
  Cu  Cu75  1  1.004425  0.920370  0.705601  1
  Cu  Cu76  1  0.504425  0.420963  0.704855  1
  Cu  Cu77  1  0.504425  0.192368  0.666358  1
  Cu  Cu78  1  0.504425  0.805855  0.685946  1
  Cu  Cu79  1  0.504425  0.613233  0.696034  1
  Cu  Cu80  1  0.504425  0.383048  0.655000  1
  Cu  Cu81  1  0.504425  0.998871  0.676058  1
  Cu  Cu82  1  1.004425  0.499592  0.676265  1
  Cu  Cu83  1  1.004425  0.113237  0.695753  1
  Cu  Cu84  1  1.004425  0.728043  0.714777  1
